PubChemLite - Schembl4932552 (C24H33N7)

Structural Information

Molecular Formula

SMILES

CC(C)(CN=C(N)N)CN1C2=CC=CC=C2N=C1CN(C)C3CCCC4=C3N=CC=C4

InChI

InChI=1S/C24H33N7/c1-24(2,15-28-23(25)26)16-31-19-11-5-4-10-18(19)29-21(31)14-30(3)20-12-6-8-17-9-7-13-27-22(17)20/h4-5,7,9-11,13,20H,6,8,12,14-16H2,1-3H3,(H4,25,26,28)

InChIKey

RJUSPAJEXRXMFD-UHFFFAOYSA-N

Compound name

2-[2,2-dimethyl-3-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]propyl]guanidine

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]+	420.28703	202.2
[M+Na]+	442.26897	205.9
[M-H]-	418.27247	207.8
[M+NH4]+	437.31357	211.5
[M+K]+	458.24291	200.8
[M+H-H2O]+	402.27701	190.8
[M+HCOO]-	464.27795	220.3
[M+CH3COO]-	478.29360	243.2
[M+Na-2H]-	440.25442	206.0
[M]+	419.27920	201.0
[M]-	419.28030	201.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

420.28703

202.2

[M+Na]+

442.26897

205.9

[M-H]-

418.27247

207.8

[M+NH4]+

437.31357

211.5

[M+K]+

458.24291

200.8

[M+H-H2O]+

402.27701

190.8

[M+HCOO]-

464.27795

220.3

[M+CH3COO]-

478.29360

243.2

[M+Na-2H]-

440.25442

206.0

[M]+

419.27920

201.0

[M]-

419.28030

201.0

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

Schembl4932552

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe