CID 20836263

1-(4-chlorophenyl)-4-(3-(4-methoxyphenyl)-1-oxo-2-butenyl)piperazine

Structural Information

Molecular Formula
C21H23ClN2O2
SMILES
C/C(=C/C(=O)N1CCN(CC1)C2=CC=C(C=C2)Cl)/C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H23ClN2O2/c1-16(17-3-9-20(26-2)10-4-17)15-21(25)24-13-11-23(12-14-24)19-7-5-18(22)6-8-19/h3-10,15H,11-14H2,1-2H3/b16-15-
InChIKey
MJAZZYGVWKPYCM-NXVVXOECSA-N
Compound name
(Z)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1448 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.15208 188.7
[M+Na]+ 393.13402 193.9
[M-H]- 369.13752 194.4
[M+NH4]+ 388.17862 198.3
[M+K]+ 409.10796 187.3
[M+H-H2O]+ 353.14206 178.1
[M+HCOO]- 415.14300 199.1
[M+CH3COO]- 429.15865 215.1
[M+Na-2H]- 391.11947 187.6
[M]+ 370.14425 187.7
[M]- 370.14535 187.7
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.