CID 6447504

Brn 4565754

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]+ 352.16558 181.4
[M+Na]+ 374.14752 194.9
[M+NH4]+ 369.19212 187.8
[M+K]+ 390.12146 190.5
[M-H]- 350.15102 187.0
[M+Na-2H]- 372.13297 189.3
[M]+ 351.15775 184.6
[M]- 351.15885 184.6
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.