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]+ 361.11828 184.5
[M+Na]+ 383.10022 188.1
[M-H]- 359.10372 193.5
[M+NH4]+ 378.14482 194.6
[M+K]+ 399.07416 179.1
[M+H-H2O]+ 343.10826 178.5
[M+HCOO]- 405.10920 209.2
[M+CH3COO]- 419.12485 209.5
[M+Na-2H]- 381.08567 190.2
[M]+ 360.11045 182.5
[M]- 360.11155 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.