CID 736695

2-cyano-3-(4-nitrophenyl)acrylamide

Structural Information

Molecular Formula
C10H7N3O3
SMILES
C1=CC(=CC=C1/C=C(\C#N)/C(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C10H7N3O3/c11-6-8(10(12)14)5-7-1-3-9(4-2-7)13(15)16/h1-5H,(H2,12,14)/b8-5+
InChIKey
VIDRAZPPCGWQKU-VMPITWQZSA-N
Compound name
(E)-2-cyano-3-(4-nitrophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2
Patents

217.04874 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.05602 149.0
[M+Na]+ 240.03796 159.2
[M+NH4]+ 235.08256 152.0
[M+K]+ 256.01190 153.9
[M-H]- 216.04146 143.9
[M+Na-2H]- 238.02341 150.9
[M]+ 217.04819 147.8
[M]- 217.04929 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.