CID 5902299

Nsc636434

Structural Information

Molecular Formula
C21H15NO3
SMILES
C1=CC=C(C=C1)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H15NO3/c23-21(18-11-5-2-6-12-18)20(17-9-3-1-4-10-17)15-16-8-7-13-19(14-16)22(24)25/h1-15H/b20-15-
InChIKey
OBOJHUWHVNHVFZ-HKWRFOASSA-N
Compound name
(Z)-3-(3-nitrophenyl)-1,2-diphenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1052 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.11248 178.3
[M+Na]+ 352.09442 181.9
[M-H]- 328.09792 187.1
[M+NH4]+ 347.13902 189.7
[M+K]+ 368.06836 172.7
[M+H-H2O]+ 312.10246 173.0
[M+HCOO]- 374.10340 200.9
[M+CH3COO]- 388.11905 202.9
[M+Na-2H]- 350.07987 182.6
[M]+ 329.10465 174.8
[M]- 329.10575 174.8
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.