CID 5276384

2h-benzimidazol-2-one, 6-chloro-1-(cyclohexylmethyl)-1,3-dihydro-

Structural Information

Molecular Formula
C14H17ClN2O
SMILES
C1CCC(CC1)CN2C3=C(C=CC(=C3)Cl)NC2=O
InChI
InChI=1S/C14H17ClN2O/c15-11-6-7-12-13(8-11)17(14(18)16-12)9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,18)
InChIKey
MCNHWLILAIRSOX-UHFFFAOYSA-N
Compound name
5-chloro-3-(cyclohexylmethyl)-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

264.10294 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11022 159.2
[M+Na]+ 287.09216 168.4
[M-H]- 263.09566 162.5
[M+NH4]+ 282.13676 176.2
[M+K]+ 303.06610 161.4
[M+H-H2O]+ 247.10020 151.3
[M+HCOO]- 309.10114 172.7
[M+CH3COO]- 323.11679 170.4
[M+Na-2H]- 285.07761 162.1
[M]+ 264.10239 158.0
[M]- 264.10349 158.0
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