CID 5278811

N-butyl-1-cycloheptyl-2-(1-naphthylmethylamino)benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C30H36N4O
SMILES
CCCCNC(=O)C1=CC2=C(C=C1)N(C(=N2)NCC3=CC=CC4=CC=CC=C43)C5CCCCCC5
InChI
InChI=1S/C30H36N4O/c1-2-3-19-31-29(35)23-17-18-28-27(20-23)33-30(34(28)25-14-6-4-5-7-15-25)32-21-24-13-10-12-22-11-8-9-16-26(22)24/h8-13,16-18,20,25H,2-7,14-15,19,21H2,1H3,(H,31,35)(H,32,33)
InChIKey
HNXJTPUJXHOCCP-UHFFFAOYSA-N
Compound name
N-butyl-1-cycloheptyl-2-(naphthalen-1-ylmethylamino)benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.2889 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.29618 219.3
[M+Na]+ 491.27812 222.1
[M-H]- 467.28162 228.0
[M+NH4]+ 486.32272 226.9
[M+K]+ 507.25206 218.2
[M+H-H2O]+ 451.28616 208.1
[M+HCOO]- 513.28710 235.1
[M+CH3COO]- 527.30275 225.1
[M+Na-2H]- 489.26357 219.2
[M]+ 468.28835 215.0
[M]- 468.28945 215.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.