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]+ 215.11789 145.6
[M+Na]+ 237.09983 154.7
[M-H]- 213.10333 149.5
[M+NH4]+ 232.14443 163.7
[M+K]+ 253.07377 149.3
[M+H-H2O]+ 197.10787 137.6
[M+HCOO]- 259.10881 165.8
[M+CH3COO]- 273.12446 158.1
[M+Na-2H]- 235.08528 151.5
[M]+ 214.11006 143.2
[M]- 214.11116 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