CID 5970099

28058-40-4

Structural Information

Molecular Formula
C16H18N4O4
SMILES
CCOC1=C(C=C(C=C1)/C=N\NC2=NC=C(C=C2)[N+](=O)[O-])OCC
InChI
InChI=1S/C16H18N4O4/c1-3-23-14-7-5-12(9-15(14)24-4-2)10-18-19-16-8-6-13(11-17-16)20(21)22/h5-11H,3-4H2,1-2H3,(H,17,19)/b18-10-
InChIKey
XHLRPBBIWPYPKS-ZDLGFXPLSA-N
Compound name
N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1328 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14008 175.1
[M+Na]+ 353.12202 187.9
[M+NH4]+ 348.16662 181.1
[M+K]+ 369.09596 183.6
[M-H]- 329.12552 180.5
[M+Na-2H]- 351.10747 182.7
[M]+ 330.13225 178.1
[M]- 330.13335 178.1
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.