CID 347003

N-veratrylideneanthranilic acid

Structural Information

Molecular Formula

C₁₆H₁₅NO₄

SMILES

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

InChI

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

InChIKey

FXVNLJYBLRLPGG-UHFFFAOYSA-N

Compound name

2-[(3,4-dimethoxyphenyl)methylideneamino]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 285.1001 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]+	286.107376	163.3
[M+Na]+	308.089318	170.9
[M-H]-	284.092824	170.4
[M+NH4]+	303.133923	178.7
[M+K]+	324.063258	168.3
[M+H-H2O]+	268.097360	155.1
[M+HCOO]-	330.098301	188.2
[M+CH3COO]-	344.113951	203.3
[M+Na-2H]-	306.074766	167.4
[M]+	285.09955142	167.1
[M]-	285.10064858	167.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe