CID 6090864

28058-41-5

Structural Information

Molecular Formula
C13H10N4O4
SMILES
C1=CC=C(C(=C1)/C=N\NC2=NC=C(C=C2)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C13H10N4O4/c18-13(19)11-4-2-1-3-9(11)7-15-16-12-6-5-10(8-14-12)17(20)21/h1-8H,(H,14,16)(H,18,19)/b15-7-
InChIKey
QODVDQMYTMDSTA-CHHVJCJISA-N
Compound name
2-[(Z)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0702 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.07748 158.7
[M+Na]+ 309.05942 164.0
[M-H]- 285.06292 164.3
[M+NH4]+ 304.10402 170.8
[M+K]+ 325.03336 156.9
[M+H-H2O]+ 269.06746 153.9
[M+HCOO]- 331.06840 184.8
[M+CH3COO]- 345.08405 197.6
[M+Na-2H]- 307.04487 167.3
[M]+ 286.06965 156.5
[M]- 286.07075 156.5
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.