CID 961428

88826-07-7

Structural Information

Molecular Formula

C₁₈H₁₃NO₃

SMILES

C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC=CC(=C3)C(=O)O)O

InChI

InChI=1S/C18H13NO3/c20-17-9-8-12-4-1-2-7-15(12)16(17)11-19-14-6-3-5-13(10-14)18(21)22/h1-11,20H,(H,21,22)

InChIKey

ZKQQOEKFXGIIRV-UHFFFAOYSA-N

Compound name

3-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 291.08954 Da
Monoisotopic Mass: 3.6
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]+	292.09682	166.3
[M+Na]+	314.07876	181.1
[M+NH4]+	309.12336	174.4
[M+K]+	330.05270	173.2
[M-H]-	290.08226	171.3
[M+Na-2H]-	312.06421	175.0
[M]+	291.08899	169.8
[M]-	291.09009	169.8

Literature stripe

literature stripe

Patent stripe

patents stripe