CID 6058184

28058-37-9

Structural Information

Molecular Formula
C14H14N4O4
SMILES
COC1=C(C=C(C=C1)/C=N\NC2=NC=C(C=C2)[N+](=O)[O-])OC
InChI
InChI=1S/C14H14N4O4/c1-21-12-5-3-10(7-13(12)22-2)8-16-17-14-6-4-11(9-15-14)18(19)20/h3-9H,1-2H3,(H,15,17)/b16-8-
InChIKey
MRQJAFVCQWRYMV-PXNMLYILSA-N
Compound name
N-[(Z)-(3,4-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 165.3
[M+Na]+ 325.09072 171.4
[M-H]- 301.09422 172.3
[M+NH4]+ 320.13532 177.9
[M+K]+ 341.06466 165.0
[M+H-H2O]+ 285.09876 159.9
[M+HCOO]- 347.09970 193.3
[M+CH3COO]- 361.11535 204.5
[M+Na-2H]- 323.07617 174.1
[M]+ 302.10095 166.9
[M]- 302.10205 166.9
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.