CID 5784563

331462-24-9

Structural Information

Molecular Formula
C21H16N2O4
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H16N2O4/c24-21(14-9-16-5-4-6-18(15-16)23(25)26)22-17-10-12-20(13-11-17)27-19-7-2-1-3-8-19/h1-15H,(H,22,24)/b14-9+
InChIKey
LMXQMCQSHFJTQU-NTEUORMPSA-N
Compound name
(E)-3-(3-nitrophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.111 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.118276 184.5
[M+Na]+ 383.100218 188.1
[M-H]- 359.103724 193.5
[M+NH4]+ 378.144823 194.6
[M+K]+ 399.074158 179.1
[M+H-H2O]+ 343.108260 178.5
[M+HCOO]- 405.109201 209.2
[M+CH3COO]- 419.124851 209.5
[M+Na-2H]- 381.085666 190.2
[M]+ 360.11045142 182.5
[M]- 360.11154858 182.5
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.