CID 135408599

Nsc 52426

Structural Information

Molecular Formula
C16H12N4O3
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC3=NC=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C16H12N4O3/c21-15-7-5-11-3-1-2-4-13(11)14(15)10-18-19-16-8-6-12(9-17-16)20(22)23/h1-10,21H,(H,17,19)/b18-10+
InChIKey
HGHRJXYLWZISLR-VCHYOVAHSA-N
Compound name
1-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.09094 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.098216 164.6
[M+Na]+ 331.080158 170.6
[M-H]- 307.083664 171.0
[M+NH4]+ 326.124763 177.0
[M+K]+ 347.054098 161.9
[M+H-H2O]+ 291.088200 159.4
[M+HCOO]- 353.089141 189.9
[M+CH3COO]- 367.104791 203.7
[M+Na-2H]- 329.065606 175.4
[M]+ 308.09039142 162.6
[M]- 308.09148858 162.6
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.