CID 3061804

Brn 5567680

Structural Information

Molecular Formula
C15H13ClN2O
SMILES
CC1=C(C(=CC=C1)C)N2C3=C(C=CC(=C3)Cl)NC2=O
InChI
InChI=1S/C15H13ClN2O/c1-9-4-3-5-10(2)14(9)18-13-8-11(16)6-7-12(13)17-15(18)19/h3-8H,1-2H3,(H,17,19)
InChIKey
OCDMFGLRJVCWIO-UHFFFAOYSA-N
Compound name
5-chloro-3-(2,6-dimethylphenyl)-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.07166 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07894 159.4
[M+Na]+ 295.06088 177.3
[M+NH4]+ 290.10548 168.3
[M+K]+ 311.03482 170.1
[M-H]- 271.06438 163.3
[M+Na-2H]- 293.04633 168.0
[M]+ 272.07111 163.6
[M]- 272.07221 163.6
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.