CID 9561286

28058-19-7

Structural Information

Molecular Formula
C13H12N4O2
SMILES
C1=CC=C(C=C1)C/C=N/NC2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H12N4O2/c18-17(19)12-6-7-13(14-10-12)16-15-9-8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,14,16)/b15-9+
InChIKey
UPXKGPLYXKTBLA-OQLLNIDSSA-N
Compound name
5-nitro-N-[(E)-2-phenylethylideneamino]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.09604 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10332 153.9
[M+Na]+ 279.08526 159.1
[M-H]- 255.08876 160.3
[M+NH4]+ 274.12986 168.0
[M+K]+ 295.05920 151.7
[M+H-H2O]+ 239.09330 148.9
[M+HCOO]- 301.09424 182.0
[M+CH3COO]- 315.10989 195.0
[M+Na-2H]- 277.07071 164.4
[M]+ 256.09549 151.8
[M]- 256.09659 151.8
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.