CID 24843885

23771-34-8

Structural Information

Molecular Formula
C22H28N2O3
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCC(=O)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C22H28N2O3/c1-17-6-4-5-7-19(17)24-14-12-23(13-15-24)11-10-20(25)18-8-9-21(26-2)22(16-18)27-3/h4-9,16H,10-15H2,1-3H3
InChIKey
DAIHTSUPLPZBGB-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-3-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.21 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 191.8
[M+Na]+ 391.19922 205.6
[M+NH4]+ 386.24382 198.3
[M+K]+ 407.17316 197.7
[M-H]- 367.20272 196.5
[M+Na-2H]- 389.18467 199.2
[M]+ 368.20945 195.1
[M]- 368.21055 195.1
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.