CID 52272

20632-57-9

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: 20
Patents: 256.08478 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	257.09206	157.9
[M+Na]+	279.07400	169.0
[M+NH4]+	274.11860	164.6
[M+K]+	295.04794	163.6
[M-H]-	255.07750	161.5
[M+Na-2H]-	277.05945	165.7
[M]+	256.08423	160.1
[M]-	256.08533	160.1

Literature stripe

literature stripe

Patent stripe

patents stripe