PubChemLite - 2-naphthalenecarboximidamide, 6-[(2r)-2-[1,2,3,4-tetrahydro-2-methyl-1-(3-pyridinyl)-7-isoquinolinyl]cyclopropyl]- (C29H28N4)

Structural Information

Molecular Formula

SMILES

CN1CCC2=C(C1C3=CN=CC=C3)C=C(C=C2)[C@@H]4CC4C5=CC6=C(C=C5)C=C(C=C6)C(=N)N

InChI

InChI=1S/C29H28N4/c1-33-12-10-18-4-7-22(15-27(18)28(33)24-3-2-11-32-17-24)26-16-25(26)21-8-5-20-14-23(29(30)31)9-6-19(20)13-21/h2-9,11,13-15,17,25-26,28H,10,12,16H2,1H3,(H3,30,31)/t25?,26-,28?/m0/s1

InChIKey

CIKVTXDUKZPYCU-CGVRRFLZSA-N

Compound name

6-[(2R)-2-(2-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	433.23866	205.3
[M+Na]+	455.22060	212.4
[M-H]-	431.22410	215.2
[M+NH4]+	450.26520	208.2
[M+K]+	471.19454	202.8
[M+H-H2O]+	415.22864	193.5
[M+HCOO]-	477.22958	220.7
[M+CH3COO]-	491.24523	211.8
[M+Na-2H]-	453.20605	206.9
[M]+	432.23083	201.9
[M]-	432.23193	201.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

433.23866

205.3

[M+Na]+

455.22060

212.4

[M-H]-

431.22410

215.2

[M+NH4]+

450.26520

208.2

[M+K]+

471.19454

202.8

[M+H-H2O]+

415.22864

193.5

[M+HCOO]-

477.22958

220.7

[M+CH3COO]-

491.24523

211.8

[M+Na-2H]-

453.20605

206.9

[M]+

432.23083

201.9

[M]-

432.23193

201.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2-naphthalenecarboximidamide, 6-[(2r)-2-[1,2,3,4-tetrahydro-2-methyl-1-(3-pyridinyl)-7-isoquinolinyl]cyclopropyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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