CID 135850203

Brn 0419655

Structural Information

Molecular Formula
C12H10N4O3
SMILES
C1=CC(=CC=C1/C=N\NC2=NC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C12H10N4O3/c17-11-4-1-9(2-5-11)7-14-15-12-6-3-10(8-13-12)16(18)19/h1-8,17H,(H,13,15)/b14-7-
InChIKey
PEMWBWQJUYQAPQ-AUWJEWJLSA-N
Compound name
4-[(Z)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0753 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.08258 152.0
[M+Na]+ 281.06452 158.0
[M-H]- 257.06802 157.7
[M+NH4]+ 276.10912 165.6
[M+K]+ 297.03846 150.6
[M+H-H2O]+ 241.07256 147.6
[M+HCOO]- 303.07350 179.2
[M+CH3COO]- 317.08915 192.5
[M+Na-2H]- 279.04997 162.2
[M]+ 258.07475 149.5
[M]- 258.07585 149.5
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.