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

13
Patents

272.1161 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.123376 160.1
[M+Na]+ 295.105318 168.8
[M-H]- 271.108824 164.2
[M+NH4]+ 290.149923 175.7
[M+K]+ 311.079258 164.2
[M+H-H2O]+ 255.113360 151.8
[M+HCOO]- 317.114301 179.0
[M+CH3COO]- 331.129951 194.8
[M+Na-2H]- 293.090766 163.2
[M]+ 272.11555142 160.2
[M]- 272.11664858 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