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-nitropyridin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 309.09822 166.8
[M+Na]+ 331.08016 181.6
[M+NH4]+ 326.12476 174.4
[M+K]+ 347.05410 176.5
[M-H]- 307.08366 173.5
[M+Na-2H]- 329.06561 175.9
[M]+ 308.09039 170.6
[M]- 308.09149 170.6
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.