CID 9576144

28058-23-3

Structural Information

Molecular Formula
C14H12N4O2
SMILES
C1=CC=C(C=C1)/C=C\C=N\NC2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H12N4O2/c19-18(20)13-8-9-14(15-11-13)17-16-10-4-7-12-5-2-1-3-6-12/h1-11H,(H,15,17)/b7-4-,16-10+
InChIKey
OVCXYRIKVQDISR-VKZSLHGGSA-N
Compound name
5-nitro-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.09604 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10332 158.0
[M+Na]+ 291.08526 163.2
[M-H]- 267.08876 164.4
[M+NH4]+ 286.12986 171.7
[M+K]+ 307.05920 155.0
[M+H-H2O]+ 251.09330 153.0
[M+HCOO]- 313.09424 186.0
[M+CH3COO]- 327.10989 196.4
[M+Na-2H]- 289.07071 168.0
[M]+ 268.09549 155.5
[M]- 268.09659 155.5
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.