CID 45791399

1-(cyclohex-1-en-1-yl)-2,3-dihydro-1h-1,3-benzodiazol-2-one

Structural Information

Molecular Formula
C13H14N2O
SMILES
C1CCC(=CC1)N2C3=CC=CC=C3NC2=O
InChI
InChI=1S/C13H14N2O/c16-13-14-11-8-4-5-9-12(11)15(13)10-6-2-1-3-7-10/h4-6,8-9H,1-3,7H2,(H,14,16)
InChIKey
YNUIAKDUHMTHBL-UHFFFAOYSA-N
Compound name
3-(cyclohexen-1-yl)-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

214.11061 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.117886 145.6
[M+Na]+ 237.099828 154.7
[M-H]- 213.103334 149.5
[M+NH4]+ 232.144433 163.7
[M+K]+ 253.073768 149.3
[M+H-H2O]+ 197.107870 137.6
[M+HCOO]- 259.108811 165.8
[M+CH3COO]- 273.124461 158.1
[M+Na-2H]- 235.085276 151.5
[M]+ 214.11006142 143.2
[M]- 214.11115858 143.2
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

patents stripe