CID 16728447

Chembl234400

Structural Information

Molecular Formula
C16H15ClN2O
SMILES
CC1=CC(=CC(=C1)CN2C3=C(C=CC(=C3)Cl)NC2=O)C
InChI
InChI=1S/C16H15ClN2O/c1-10-5-11(2)7-12(6-10)9-19-15-8-13(17)3-4-14(15)18-16(19)20/h3-8H,9H2,1-2H3,(H,18,20)
InChIKey
OUYKEKWOQYEPTO-UHFFFAOYSA-N
Compound name
5-chloro-3-[(3,5-dimethylphenyl)methyl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

286.08728 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09456 164.5
[M+Na]+ 309.07650 177.8
[M-H]- 285.08000 169.5
[M+NH4]+ 304.12110 181.5
[M+K]+ 325.05044 169.8
[M+H-H2O]+ 269.08454 157.0
[M+HCOO]- 331.08548 181.7
[M+CH3COO]- 345.10113 177.3
[M+Na-2H]- 307.06195 168.0
[M]+ 286.08673 169.2
[M]- 286.08783 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.