CID 6447504

Piperazine, 1-(2-methyl-3-(4-nitrophenyl)-1-oxo-2-propenyl)-4-phenyl-

Structural Information

Molecular Formula
C20H21N3O3
SMILES
C/C(=C\C1=CC=C(C=C1)[N+](=O)[O-])/C(=O)N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C20H21N3O3/c1-16(15-17-7-9-19(10-8-17)23(25)26)20(24)22-13-11-21(12-14-22)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3/b16-15+
InChIKey
ZAHPBGDNCLKCCI-FOCLMDBBSA-N
Compound name
(E)-2-methyl-3-(4-nitrophenyl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1583 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.165576 183.7
[M+Na]+ 374.147518 185.6
[M-H]- 350.151024 189.3
[M+NH4]+ 369.192123 191.7
[M+K]+ 390.121458 176.7
[M+H-H2O]+ 334.155560 177.0
[M+HCOO]- 396.156501 199.8
[M+CH3COO]- 410.172151 206.6
[M+Na-2H]- 372.132966 186.0
[M]+ 351.15775142 176.8
[M]- 351.15884858 176.8
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.