CID 5277379

Ethyl n-[7-(benzhydrylamino)-2-phenyl-3h-benzimidazol-5-yl]carbamate

Structural Information

Molecular Formula
C29H26N4O2
SMILES
CCOC(=O)NC1=CC2=C(C(=C1)NC(C3=CC=CC=C3)C4=CC=CC=C4)N=C(N2)C5=CC=CC=C5
InChI
InChI=1S/C29H26N4O2/c1-2-35-29(34)30-23-18-24(27-25(19-23)32-28(33-27)22-16-10-5-11-17-22)31-26(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-19,26,31H,2H2,1H3,(H,30,34)(H,32,33)
InChIKey
QXXIBIBVIPCFKA-UHFFFAOYSA-N
Compound name
ethyl N-[7-(benzhydrylamino)-2-phenyl-3H-benzimidazol-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.20557 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.21285 209.3
[M+Na]+ 485.19479 213.4
[M-H]- 461.19829 218.8
[M+NH4]+ 480.23939 214.9
[M+K]+ 501.16873 205.6
[M+H-H2O]+ 445.20283 196.8
[M+HCOO]- 507.20377 228.9
[M+CH3COO]- 521.21942 216.2
[M+Na-2H]- 483.18024 212.4
[M]+ 462.20502 208.6
[M]- 462.20612 208.6
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.