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 174.6
[M+Na]+ 353.12202 179.9
[M-H]- 329.12552 181.3
[M+NH4]+ 348.16662 186.1
[M+K]+ 369.09596 173.0
[M+H-H2O]+ 313.13006 168.8
[M+HCOO]- 375.13100 201.9
[M+CH3COO]- 389.14665 210.5
[M+Na-2H]- 351.10747 182.4
[M]+ 330.13225 176.9
[M]- 330.13335 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.