CID 5277393

Ethyl n-(3-benzhydryl-2-phenyl-benzimidazol-5-yl)carbamate

Structural Information

Molecular Formula
C29H25N3O2
SMILES
CCOC(=O)NC1=CC2=C(C=C1)N=C(N2C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C29H25N3O2/c1-2-34-29(33)30-24-18-19-25-26(20-24)32(28(31-25)23-16-10-5-11-17-23)27(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-20,27H,2H2,1H3,(H,30,33)
InChIKey
RMCUYIXZPBBOAB-UHFFFAOYSA-N
Compound name
ethyl N-(3-benzhydryl-2-phenylbenzimidazol-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.19467 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.20195 209.9
[M+Na]+ 470.18389 215.4
[M-H]- 446.18739 220.6
[M+NH4]+ 465.22849 217.1
[M+K]+ 486.15783 208.0
[M+H-H2O]+ 430.19193 197.1
[M+HCOO]- 492.19287 229.8
[M+CH3COO]- 506.20852 217.8
[M+Na-2H]- 468.16934 211.9
[M]+ 447.19412 211.3
[M]- 447.19522 211.3
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.