CID 39870952

2-[3-(cyclohex-1-en-1-yl)-2-oxo-2,3-dihydro-1h-1,3-benzodiazol-1-yl]acetic acid

Structural Information

Molecular Formula
C15H16N2O3
SMILES
C1CCC(=CC1)N2C3=CC=CC=C3N(C2=O)CC(=O)O
InChI
InChI=1S/C15H16N2O3/c18-14(19)10-16-12-8-4-5-9-13(12)17(15(16)20)11-6-2-1-3-7-11/h4-6,8-9H,1-3,7,10H2,(H,18,19)
InChIKey
RTCNCJYIXJQJCY-UHFFFAOYSA-N
Compound name
2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

272.1161 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12338 160.1
[M+Na]+ 295.10532 168.8
[M-H]- 271.10882 164.2
[M+NH4]+ 290.14992 175.7
[M+K]+ 311.07926 164.2
[M+H-H2O]+ 255.11336 151.8
[M+HCOO]- 317.11430 179.0
[M+CH3COO]- 331.12995 194.8
[M+Na-2H]- 293.09077 163.2
[M]+ 272.11555 160.2
[M]- 272.11665 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

patents stripe