CID 6879980

N-[(e)-[(e)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide

Structural Information

Molecular Formula
C15H12N4O3
SMILES
C1=CC=C(C(=C1)/C=C/C=N/NC(=O)C2=CC=NC=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H12N4O3/c20-15(13-7-10-16-11-8-13)18-17-9-3-5-12-4-1-2-6-14(12)19(21)22/h1-11H,(H,18,20)/b5-3+,17-9+
InChIKey
ZADZPMDXYSNLMR-AHEHSYJASA-N
Compound name
N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

296.09094 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09822 165.2
[M+Na]+ 319.08016 169.8
[M-H]- 295.08366 171.5
[M+NH4]+ 314.12476 177.5
[M+K]+ 335.05410 161.9
[M+H-H2O]+ 279.08820 159.9
[M+HCOO]- 341.08914 192.2
[M+CH3COO]- 355.10479 200.6
[M+Na-2H]- 317.06561 173.6
[M]+ 296.09039 162.9
[M]- 296.09149 162.9
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.