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 179.2
[M+Na]+ 364.08232 188.8
[M-H]- 340.08582 183.4
[M+NH4]+ 359.12692 192.9
[M+K]+ 380.05626 181.0
[M+H-H2O]+ 324.09036 170.6
[M+HCOO]- 386.09130 196.3
[M+CH3COO]- 400.10695 189.7
[M+Na-2H]- 362.06777 182.7
[M]+ 341.09255 183.1
[M]- 341.09365 183.1
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.