CID 20836262

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

Structural Information

Molecular Formula
C22H26N2O2
SMILES
CC1=CC(=CC=C1)N2CCN(CC2)C(=O)/C=C(/C)\C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H26N2O2/c1-17-5-4-6-20(15-17)23-11-13-24(14-12-23)22(25)16-18(2)19-7-9-21(26-3)10-8-19/h4-10,15-16H,11-14H2,1-3H3/b18-16-
InChIKey
SDWWMGQEJJJHGT-VLGSPTGOSA-N
Compound name
(Z)-3-(4-methoxyphenyl)-1-[4-(3-methylphenyl)piperazin-1-yl]but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.19943 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20671 187.3
[M+Na]+ 373.18865 201.0
[M+NH4]+ 368.23325 194.1
[M+K]+ 389.16259 193.1
[M-H]- 349.19215 192.1
[M+Na-2H]- 371.17410 195.1
[M]+ 350.19888 190.5
[M]- 350.19998 190.5
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.