PubChemLite - 6-[n-(1-isopropyl-1,2,3,4-tetrahydro-7-isoquinolinyl)carbamyl]-2-naphthalenecarboxamidine (C24H26N4O)

Structural Information

Molecular Formula

SMILES

CC(C)[C@H]1C2=C(CCN1)C=CC(=C2)NC(=O)C3=CC4=C(C=C3)C=C(C=C4)C(=N)N

InChI

InChI=1S/C24H26N4O/c1-14(2)22-21-13-20(8-7-15(21)9-10-27-22)28-24(29)19-6-4-16-11-18(23(25)26)5-3-17(16)12-19/h3-8,11-14,22,27H,9-10H2,1-2H3,(H3,25,26)(H,28,29)/t22-/m0/s1

InChIKey

DARQQJKHXPXSRO-QFIPXVFZSA-N

Compound name

6-carbamimidoyl-N-[(1S)-1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]naphthalene-2-carboxamide

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]+	387.21794	192.1
[M+Na]+	409.19988	195.1
[M-H]-	385.20338	196.2
[M+NH4]+	404.24448	201.9
[M+K]+	425.17382	188.5
[M+H-H2O]+	369.20792	182.5
[M+HCOO]-	431.20886	206.6
[M+CH3COO]-	445.22451	198.8
[M+Na-2H]-	407.18533	193.6
[M]+	386.21011	184.8
[M]-	386.21121	184.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

387.21794

192.1

[M+Na]+

409.19988

195.1

[M-H]-

385.20338

196.2

[M+NH4]+

404.24448

201.9

[M+K]+

425.17382

188.5

[M+H-H2O]+

369.20792

182.5

[M+HCOO]-

431.20886

206.6

[M+CH3COO]-

445.22451

198.8

[M+Na-2H]-

407.18533

193.6

[M]+

386.21011

184.8

[M]-

386.21121

184.8

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

6-[n-(1-isopropyl-1,2,3,4-tetrahydro-7-isoquinolinyl)carbamyl]-2-naphthalenecarboxamidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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