CID 2268704

303061-64-5

Structural Information

Molecular Formula
C13H13N3O4
SMILES
C=CC(=O)NC(C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C=C
InChI
InChI=1S/C13H13N3O4/c1-3-11(17)14-13(15-12(18)4-2)9-6-5-7-10(8-9)16(19)20/h3-8,13H,1-2H2,(H,14,17)(H,15,18)
InChIKey
JNHDBJCXXGQODI-UHFFFAOYSA-N
Compound name
N-[(3-nitrophenyl)-(prop-2-enoylamino)methyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0906 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.09788 160.6
[M+Na]+ 298.07982 169.2
[M+NH4]+ 293.12442 165.2
[M+K]+ 314.05376 168.0
[M-H]- 274.08332 162.0
[M+Na-2H]- 296.06527 163.8
[M]+ 275.09005 161.5
[M]- 275.09115 161.5
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.