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]+ 331.140076 174.6
[M+Na]+ 353.122018 179.9
[M-H]- 329.125524 181.3
[M+NH4]+ 348.166623 186.1
[M+K]+ 369.095958 173.0
[M+H-H2O]+ 313.130060 168.8
[M+HCOO]- 375.131001 201.9
[M+CH3COO]- 389.146651 210.5
[M+Na-2H]- 351.107466 182.4
[M]+ 330.13225142 176.9
[M]- 330.13334858 176.9
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.