CID 4190169

2'-methoxy-5'-methylphthalanilic acid

Structural Information

Molecular Formula

C₁₆H₁₅NO₄

SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H15NO4/c1-10-7-8-14(21-2)13(9-10)17-15(18)11-5-3-4-6-12(11)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)

InChIKey

OHXANRVUSMNCDA-UHFFFAOYSA-N

Compound name

2-[(2-methoxy-5-methylphenyl)carbamoyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 285.1001 Da
Monoisotopic Mass: 2.6
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]+	286.107376	163.6
[M+Na]+	308.089318	170.5
[M-H]-	284.092824	169.5
[M+NH4]+	303.133923	178.3
[M+K]+	324.063258	167.7
[M+H-H2O]+	268.097360	156.0
[M+HCOO]-	330.098301	186.1
[M+CH3COO]-	344.113951	201.9
[M+Na-2H]-	306.074766	166.1
[M]+	285.09955142	165.0
[M]-	285.10064858	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe