CID 4363329

182958-43-6

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]+ 263.139016 159.1
[M+Na]+ 285.120958 161.3
[M-H]- 261.124464 163.3
[M+NH4]+ 280.165563 173.6
[M+K]+ 301.094898 158.8
[M+H-H2O]+ 245.129000 151.4
[M+HCOO]- 307.129941 178.8
[M+CH3COO]- 321.145591 196.9
[M+Na-2H]- 283.106406 161.5
[M]+ 262.13119142 152.5
[M]- 262.13228858 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.