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]+ 369.217276 191.7
[M+Na]+ 391.199218 196.2
[M-H]- 367.202724 197.5
[M+NH4]+ 386.243823 200.6
[M+K]+ 407.173158 191.7
[M+H-H2O]+ 351.207260 180.1
[M+HCOO]- 413.208201 207.2
[M+CH3COO]- 427.223851 219.0
[M+Na-2H]- 389.184666 190.8
[M]+ 368.20945142 191.8
[M]- 368.21054858 191.8
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.