CID 9561276

28058-20-0

Structural Information

Molecular Formula
C13H12N4O2
SMILES
CC1=CC=C(C=C1)/C=N/NC2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H12N4O2/c1-10-2-4-11(5-3-10)8-15-16-13-7-6-12(9-14-13)17(18)19/h2-9H,1H3,(H,14,16)/b15-8+
InChIKey
NJBCCVUXKPILEC-OVCLIPMQSA-N
Compound name
N-[(E)-(4-methylphenyl)methylideneamino]-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.09604 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10332 155.2
[M+Na]+ 279.08526 169.4
[M+NH4]+ 274.12986 163.0
[M+K]+ 295.05920 164.5
[M-H]- 255.08876 161.8
[M+Na-2H]- 277.07071 164.9
[M]+ 256.09549 158.9
[M]- 256.09659 158.9
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.