CID 466855

Chembl366798

Structural Information

Molecular Formula

C₁₈H₁₄N₂O₄

SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)NNC(=O)C3=CC=CC=C3O)O

InChI

InChI=1S/C18H14N2O4/c21-15-8-4-3-7-13(15)17(23)19-20-18(24)14-9-11-5-1-2-6-12(11)10-16(14)22/h1-10,21-22H,(H,19,23)(H,20,24)

InChIKey

FKEGUGSOLFXBSP-UHFFFAOYSA-N

Compound name

3-hydroxy-N'-(2-hydroxybenzoyl)naphthalene-2-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 322.09537 Da
Monoisotopic Mass: 4.0
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]+	323.10265	171.2
[M+Na]+	345.08459	177.2
[M-H]-	321.08809	176.4
[M+NH4]+	340.12919	184.0
[M+K]+	361.05853	172.9
[M+H-H2O]+	305.09263	163.1
[M+HCOO]-	367.09357	192.1
[M+CH3COO]-	381.10922	207.7
[M+Na-2H]-	343.07004	176.1
[M]+	322.09482	169.4
[M]-	322.09592	169.4

Literature stripe

literature stripe

Patent stripe

patents stripe