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]+ 257.092056 155.8
[M+Na]+ 279.073998 161.1
[M-H]- 255.077504 161.2
[M+NH4]+ 274.118603 170.8
[M+K]+ 295.047938 157.9
[M+H-H2O]+ 239.082040 147.9
[M+HCOO]- 301.082981 179.8
[M+CH3COO]- 315.098631 195.8
[M+Na-2H]- 277.059446 161.1
[M]+ 256.08423142 153.5
[M]- 256.08532858 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

literature stripe

Patent stripe

patents stripe