CID 52272

Refchem:1079215

Structural Information

Molecular Formula
C14H12N2O3
SMILES
C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C14H12N2O3/c17-13(18)10-5-4-8-12(9-10)16-14(19)15-11-6-2-1-3-7-11/h1-9H,(H,17,18)(H2,15,16,19)
InChIKey
NPUMZPHLELCFCT-UHFFFAOYSA-N
Compound name
3-(phenylcarbamoylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

16
Patents

256.08478 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09206 155.8
[M+Na]+ 279.07400 161.1
[M-H]- 255.07750 161.2
[M+NH4]+ 274.11860 170.8
[M+K]+ 295.04794 157.9
[M+H-H2O]+ 239.08204 147.9
[M+HCOO]- 301.08298 179.8
[M+CH3COO]- 315.09863 195.8
[M+Na-2H]- 277.05945 161.1
[M]+ 256.08423 153.5
[M]- 256.08533 153.5
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.