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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	342.100376	179.2
[M+Na]+	364.082318	188.8
[M-H]-	340.085824	183.4
[M+NH4]+	359.126923	192.9
[M+K]+	380.056258	181.0
[M+H-H2O]+	324.090360	170.6
[M+HCOO]-	386.091301	196.3
[M+CH3COO]-	400.106951	189.7
[M+Na-2H]-	362.067766	182.7
[M]+	341.09255142	183.1
[M]-	341.09364858	183.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.