CID 5277370

Ethyl n-[7-(benzhydrylamino)-2-(1,3-benzodioxol-5-yl)-3h-benzimidazol-5-yl]carbamate

Structural Information

Molecular Formula
C30H26N4O4
SMILES
CCOC(=O)NC1=CC2=C(C(=C1)NC(C3=CC=CC=C3)C4=CC=CC=C4)N=C(N2)C5=CC6=C(C=C5)OCO6
InChI
InChI=1S/C30H26N4O4/c1-2-36-30(35)31-22-16-23(32-27(19-9-5-3-6-10-19)20-11-7-4-8-12-20)28-24(17-22)33-29(34-28)21-13-14-25-26(15-21)38-18-37-25/h3-17,27,32H,2,18H2,1H3,(H,31,35)(H,33,34)
InChIKey
VUMUTCRNADMGKP-UHFFFAOYSA-N
Compound name
ethyl N-[7-(benzhydrylamino)-2-(1,3-benzodioxol-5-yl)-3H-benzimidazol-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.1954 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.20268 215.2
[M+Na]+ 529.18462 219.8
[M-H]- 505.18812 227.7
[M+NH4]+ 524.22922 219.4
[M+K]+ 545.15856 215.9
[M+H-H2O]+ 489.19266 204.7
[M+HCOO]- 551.19360 232.1
[M+CH3COO]- 565.20925 222.5
[M+Na-2H]- 527.17007 216.5
[M]+ 506.19485 217.8
[M]- 506.19595 217.8
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.