CID 5879214

7402-87-1

Structural Information

Molecular Formula
C21H15NO3
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H15NO3/c23-21(15-6-16-4-2-1-3-5-16)19-9-7-17(8-10-19)18-11-13-20(14-12-18)22(24)25/h1-15H/b15-6+
InChIKey
PTMVSVXGAAECBG-GIDUJCDVSA-N
Compound name
(E)-1-[4-(4-nitrophenyl)phenyl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1052 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.11248 178.8
[M+Na]+ 352.09442 183.6
[M-H]- 328.09792 187.9
[M+NH4]+ 347.13902 190.6
[M+K]+ 368.06836 173.9
[M+H-H2O]+ 312.10246 173.5
[M+HCOO]- 374.10340 202.3
[M+CH3COO]- 388.11905 203.2
[M+Na-2H]- 350.07987 183.5
[M]+ 329.10465 176.2
[M]- 329.10575 176.2
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.