PubChemLite - 2-naphthalenecarboximidamide, 6-[(2r)-2-[4-ethyl-1,2,3,4-tetrahydro-2-(phenylmethyl)-6-isoquinolinyl]cyclopropyl]- (C32H33N3)

Structural Information

Molecular Formula

SMILES

CCC1CN(CC2=C1C=C(C=C2)[C@@H]3CC3C4=CC5=C(C=C4)C=C(C=C5)C(=N)N)CC6=CC=CC=C6

InChI

InChI=1S/C32H33N3/c1-2-22-19-35(18-21-6-4-3-5-7-21)20-28-13-11-26(16-29(22)28)31-17-30(31)25-10-8-24-15-27(32(33)34)12-9-23(24)14-25/h3-16,22,30-31H,2,17-20H2,1H3,(H3,33,34)/t22?,30?,31-/m0/s1

InChIKey

FJXWDHCSHYJADA-ATHQOUPPSA-N

Compound name

6-[(2R)-2-(2-benzyl-4-ethyl-3,4-dihydro-1H-isoquinolin-6-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]+	460.27474	208.7
[M+Na]+	482.25668	214.4
[M-H]-	458.26018	219.3
[M+NH4]+	477.30128	211.9
[M+K]+	498.23062	205.1
[M+H-H2O]+	442.26472	197.3
[M+HCOO]-	504.26566	224.4
[M+CH3COO]-	518.28131	214.9
[M+Na-2H]-	480.24213	209.1
[M]+	459.26691	205.8
[M]-	459.26801	205.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

460.27474

208.7

[M+Na]+

482.25668

214.4

[M-H]-

458.26018

219.3

[M+NH4]+

477.30128

211.9

[M+K]+

498.23062

205.1

[M+H-H2O]+

442.26472

197.3

[M+HCOO]-

504.26566

224.4

[M+CH3COO]-

518.28131

214.9

[M+Na-2H]-

480.24213

209.1

[M]+

459.26691

205.8

[M]-

459.26801

205.8

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-[4-ethyl-1,2,3,4-tetrahydro-2-(phenylmethyl)-6-isoquinolinyl]cyclopropyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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