CID 51056297

Ethyl 5-(2-(2-chlorophenyl)vinyl)-1h-benzimidazol-2-ylcarbamate

Structural Information

Molecular Formula
C18H16ClN3O2
SMILES
CCOC(=O)NC1=NC2=C(N1)C=C(C=C2)/C=C/C3=CC=CC=C3Cl
InChI
InChI=1S/C18H16ClN3O2/c1-2-24-18(23)22-17-20-15-10-8-12(11-16(15)21-17)7-9-13-5-3-4-6-14(13)19/h3-11H,2H2,1H3,(H2,20,21,22,23)/b9-7+
InChIKey
UUTMJBWUVCSHGD-VQHVLOKHSA-N
Compound name
ethyl N-[6-[(E)-2-(2-chlorophenyl)ethenyl]-1H-benzimidazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.0931 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.10038 179.0
[M+Na]+ 364.08232 193.5
[M+NH4]+ 359.12692 185.9
[M+K]+ 380.05626 186.9
[M-H]- 340.08582 182.0
[M+Na-2H]- 362.06777 186.1
[M]+ 341.09255 182.1
[M]- 341.09365 182.1
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.