CID 9574029

Nsc626825

Structural Information

Molecular Formula

C₁₁H₁₄N₄O₄

SMILES

COC1=C(C(=C(C=C1)/C=N/N=C(N)N)C(=O)O)OC

InChI

InChI=1S/C11H14N4O4/c1-18-7-4-3-6(5-14-15-11(12)13)8(10(16)17)9(7)19-2/h3-5H,1-2H3,(H,16,17)(H4,12,13,15)/b14-5+

InChIKey

GRHSFFQAOVVFPF-LHHJGKSTSA-N

Compound name

6-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2,3-dimethoxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.1015 Da
Monoisotopic Mass: -0.1
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]+	267.108776	157.5
[M+Na]+	289.090718	163.8
[M-H]-	265.094224	162.1
[M+NH4]+	284.135323	173.0
[M+K]+	305.064658	163.3
[M+H-H2O]+	249.098760	149.5
[M+HCOO]-	311.099701	185.0
[M+CH3COO]-	325.115351	209.3
[M+Na-2H]-	287.076166	159.7
[M]+	266.10095142	158.2
[M]-	266.10204858	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.