CID 5276381

Benzimidazol-2-one 5

Structural Information

Molecular Formula
C17H17ClN2O
SMILES
CC(C)C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)Cl)NC2=O
InChI
InChI=1S/C17H17ClN2O/c1-11(2)13-5-3-12(4-6-13)10-20-16-9-14(18)7-8-15(16)19-17(20)21/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKey
KIPHWXPOQWXZLI-UHFFFAOYSA-N
Compound name
5-chloro-3-[(4-propan-2-ylphenyl)methyl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

300.10294 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11022 168.7
[M+Na]+ 323.09216 180.3
[M-H]- 299.09566 173.2
[M+NH4]+ 318.13676 184.8
[M+K]+ 339.06610 172.5
[M+H-H2O]+ 283.10020 160.9
[M+HCOO]- 345.10114 184.6
[M+CH3COO]- 359.11679 180.6
[M+Na-2H]- 321.07761 171.3
[M]+ 300.10239 172.8
[M]- 300.10349 172.8
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

patents stripe