CID 135429956

Nsc625326

Structural Information

Molecular Formula
C14H10N2O7
SMILES
C1=CC(=O)C(=NC2=CC(=C(C(=C2O)C(=O)O)N)O)C(=C1)C(=O)O
InChI
InChI=1S/C14H10N2O7/c15-10-8(18)4-6(12(19)9(10)14(22)23)16-11-5(13(20)21)2-1-3-7(11)17/h1-4,18-19H,15H2,(H,20,21)(H,22,23)
InChIKey
GEZBGWSDMOVDPC-UHFFFAOYSA-N
Compound name
2-amino-5-[(2-carboxy-6-oxocyclohexa-2,4-dien-1-ylidene)amino]-3,6-dihydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.0488 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.05608 166.0
[M+Na]+ 341.03802 173.4
[M-H]- 317.04152 169.5
[M+NH4]+ 336.08262 177.3
[M+K]+ 357.01196 170.9
[M+H-H2O]+ 301.04606 158.7
[M+HCOO]- 363.04700 185.6
[M+CH3COO]- 377.06265 207.2
[M+Na-2H]- 339.02347 165.2
[M]+ 318.04825 164.0
[M]- 318.04935 164.0
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.