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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.