CID 3061805

79759-79-8

Structural Information

Molecular Formula
C16H15ClN2O
SMILES
CC1=C(C(=CC=C1)C)N2C3=C(C=CC(=C3)Cl)N(C2=O)C
InChI
InChI=1S/C16H15ClN2O/c1-10-5-4-6-11(2)15(10)19-14-9-12(17)7-8-13(14)18(3)16(19)20/h4-9H,1-3H3
InChIKey
XVXRDLLYLCGKHF-UHFFFAOYSA-N
Compound name
5-chloro-3-(2,6-dimethylphenyl)-1-methylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.08728 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09456 164.1
[M+Na]+ 309.07650 178.8
[M-H]- 285.08000 170.8
[M+NH4]+ 304.12110 182.1
[M+K]+ 325.05044 171.6
[M+H-H2O]+ 269.08454 156.5
[M+HCOO]- 331.08548 182.7
[M+CH3COO]- 345.10113 177.9
[M+Na-2H]- 307.06195 167.3
[M]+ 286.08673 171.0
[M]- 286.08783 171.0
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.