CID 135473369

28058-36-8

Structural Information

Molecular Formula
C13H12N4O4
SMILES
COC1=CC=CC(=C1O)/C=N/NC2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H12N4O4/c1-21-11-4-2-3-9(13(11)18)7-15-16-12-6-5-10(8-14-12)17(19)20/h2-8,18H,1H3,(H,14,16)/b15-7+
InChIKey
XPQRYAAEEVHBLQ-VIZOYTHASA-N
Compound name
2-methoxy-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

288.08585 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.093126 160.0
[M+Na]+ 311.075068 166.2
[M-H]- 287.078574 165.9
[M+NH4]+ 306.119673 172.5
[M+K]+ 327.049008 159.2
[M+H-H2O]+ 271.083110 155.2
[M+HCOO]- 333.084051 186.9
[M+CH3COO]- 347.099701 198.9
[M+Na-2H]- 309.060516 169.1
[M]+ 288.08530142 159.5
[M]- 288.08639858 159.5
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

No patent data available for this compound.