CID 4363329

3-{[(cyclohexylamino)carbonyl]amino}benzoic acid

Structural Information

Molecular Formula
C14H18N2O3
SMILES
C1CCC(CC1)NC(=O)NC2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C14H18N2O3/c17-13(18)10-5-4-8-12(9-10)16-14(19)15-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H,17,18)(H2,15,16,19)
InChIKey
IFRFUNLNOPPEAX-UHFFFAOYSA-N
Compound name
3-(cyclohexylcarbamoylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13902 159.1
[M+Na]+ 285.12096 161.3
[M-H]- 261.12446 163.3
[M+NH4]+ 280.16556 173.6
[M+K]+ 301.09490 158.8
[M+H-H2O]+ 245.12900 151.4
[M+HCOO]- 307.12994 178.8
[M+CH3COO]- 321.14559 196.9
[M+Na-2H]- 283.10641 161.5
[M]+ 262.13119 152.5
[M]- 262.13229 152.5
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.