CID 5273473

(2e)-n-(2-nitrophenyl)-3-phenylprop-2-enamide

Structural Information

Molecular Formula
C15H12N2O3
SMILES
C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C15H12N2O3/c18-15(11-10-12-6-2-1-3-7-12)16-13-8-4-5-9-14(13)17(19)20/h1-11H,(H,16,18)/b11-10+
InChIKey
YDJUEIUOYJLVFY-ZHACJKMWSA-N
Compound name
(E)-N-(2-nitrophenyl)-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.08478 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09206 159.5
[M+Na]+ 291.07400 164.4
[M-H]- 267.07750 165.9
[M+NH4]+ 286.11860 174.1
[M+K]+ 307.04794 156.4
[M+H-H2O]+ 251.08204 155.9
[M+HCOO]- 313.08298 185.2
[M+CH3COO]- 327.09863 192.0
[M+Na-2H]- 289.05945 166.4
[M]+ 268.08423 156.6
[M]- 268.08533 156.6
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.