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 160.0
[M+Na]+ 311.07507 166.2
[M-H]- 287.07857 165.9
[M+NH4]+ 306.11967 172.5
[M+K]+ 327.04901 159.2
[M+H-H2O]+ 271.08311 155.2
[M+HCOO]- 333.08405 186.9
[M+CH3COO]- 347.09970 198.9
[M+Na-2H]- 309.06052 169.1
[M]+ 288.08530 159.5
[M]- 288.08640 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.