CID 5981252

28129-68-2

Structural Information

Molecular Formula
C14H14N4O4
SMILES
COC1=CC=CC(=C1OC)/C=N\NC2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H14N4O4/c1-21-12-5-3-4-10(14(12)22-2)8-16-17-13-7-6-11(9-15-13)18(19)20/h3-9H,1-2H3,(H,15,17)/b16-8-
InChIKey
DFGMYCMHZDHNJU-PXNMLYILSA-N
Compound name
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1015 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10878 166.1
[M+Na]+ 325.09072 179.4
[M+NH4]+ 320.13532 172.5
[M+K]+ 341.06466 175.5
[M-H]- 301.09422 171.6
[M+Na-2H]- 323.07617 174.3
[M]+ 302.10095 169.2
[M]- 302.10205 169.2
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.