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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10878 157.5
[M+Na]+ 289.09072 163.8
[M-H]- 265.09422 162.1
[M+NH4]+ 284.13532 173.0
[M+K]+ 305.06466 163.3
[M+H-H2O]+ 249.09876 149.5
[M+HCOO]- 311.09970 185.0
[M+CH3COO]- 325.11535 209.3
[M+Na-2H]- 287.07617 159.7
[M]+ 266.10095 158.2
[M]- 266.10205 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.