CID 135473369

Nsc 42856

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-nitropyridin-2-yl)hydrazinylidene]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
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]+ 289.09313 161.6
[M+Na]+ 311.07507 174.6
[M+NH4]+ 306.11967 167.8
[M+K]+ 327.04901 171.3
[M-H]- 287.07857 166.7
[M+Na-2H]- 309.06052 169.5
[M]+ 288.08530 164.5
[M]- 288.08640 164.5
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.