CID 135452530

Nsc318213

Structural Information

Molecular Formula
C14H12N2O4
SMILES
C1=CC(=C(C(=C1)O)O)/C=N/N=C/C2=C(C(=CC=C2)O)O
InChI
InChI=1S/C14H12N2O4/c17-11-5-1-3-9(13(11)19)7-15-16-8-10-4-2-6-12(18)14(10)20/h1-8,17-20H/b15-7+,16-8+
InChIKey
LRQXLWBMGFQQHO-BGPOSVGRSA-N
Compound name
3-[(E)-[(E)-(2,3-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

3
Patents

272.0797 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08698 158.5
[M+Na]+ 295.06892 166.5
[M-H]- 271.07242 163.5
[M+NH4]+ 290.11352 173.1
[M+K]+ 311.04286 162.2
[M+H-H2O]+ 255.07696 150.9
[M+HCOO]- 317.07790 183.1
[M+CH3COO]- 331.09355 197.8
[M+Na-2H]- 293.05437 163.6
[M]+ 272.07915 158.2
[M]- 272.08025 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

literature stripe

Patent stripe

patents stripe