CID 5355654

28058-33-5

Structural Information

Molecular Formula
C13H12N4O3
SMILES
COC1=CC=C(C=C1)/C=N\NC2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H12N4O3/c1-20-12-5-2-10(3-6-12)8-15-16-13-7-4-11(9-14-13)17(18)19/h2-9H,1H3,(H,14,16)/b15-8-
InChIKey
XITNDDLKIBCNGP-NVNXTCNLSA-N
Compound name
N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.09094 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09822 157.3
[M+Na]+ 295.08016 163.3
[M-H]- 271.08366 164.2
[M+NH4]+ 290.12476 171.0
[M+K]+ 311.05410 156.5
[M+H-H2O]+ 255.08820 152.3
[M+HCOO]- 317.08914 185.6
[M+CH3COO]- 331.10479 198.2
[M+Na-2H]- 293.06561 167.3
[M]+ 272.09039 156.9
[M]- 272.09149 156.9
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.