CID 202918

13501-67-2

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

COC1=CC=C(C=C1)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H13NO3/c1-18-11-8-6-10(7-9-11)15-13-5-3-2-4-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)

InChIKey

AOTGWRVCPVLSPA-UHFFFAOYSA-N

Compound name

2-(4-methoxyanilino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 71
Patents: 243.08954 Da
Monoisotopic Mass: 4.3
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]+	244.09682	154.1
[M+Na]+	266.07876	167.3
[M+NH4]+	261.12336	161.8
[M+K]+	282.05270	160.9
[M-H]-	242.08226	158.1
[M+Na-2H]-	264.06421	162.6
[M]+	243.08899	157.0
[M]-	243.09009	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe