CID 3061791

Brn 5559947

Structural Information

Molecular Formula
C14H17ClN2O
SMILES
CN1C2=C(C=C(C=C2)Cl)N(C1=O)C3CCCCC3
InChI
InChI=1S/C14H17ClN2O/c1-16-12-8-7-10(15)9-13(12)17(14(16)18)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3
InChIKey
FOPFIXOJEVWVMA-UHFFFAOYSA-N
Compound name
5-chloro-3-cyclohexyl-1-methylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.10294 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11022 159.2
[M+Na]+ 287.09216 169.8
[M-H]- 263.09566 164.2
[M+NH4]+ 282.13676 177.2
[M+K]+ 303.06610 163.6
[M+H-H2O]+ 247.10020 151.3
[M+HCOO]- 309.10114 174.2
[M+CH3COO]- 323.11679 171.4
[M+Na-2H]- 285.07761 161.7
[M]+ 264.10239 160.2
[M]- 264.10349 160.2
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.