CID 3025636

104688-82-6

Structural Information

Molecular Formula
C23H30N2O3
SMILES
CN1CCN(CC1)C(=O)CCC(C2=CC=CC=C2)C3=C(C=CC(=C3)OC)OC
InChI
InChI=1S/C23H30N2O3/c1-24-13-15-25(16-14-24)23(26)12-10-20(18-7-5-4-6-8-18)21-17-19(27-2)9-11-22(21)28-3/h4-9,11,17,20H,10,12-16H2,1-3H3
InChIKey
WTMSXKDOJCCYBC-UHFFFAOYSA-N
Compound name
4-(2,5-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)-4-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

382.22565 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.232926 195.7
[M+Na]+ 405.214868 198.6
[M-H]- 381.218374 201.1
[M+NH4]+ 400.259473 203.7
[M+K]+ 421.188808 194.5
[M+H-H2O]+ 365.222910 184.0
[M+HCOO]- 427.223851 209.9
[M+CH3COO]- 441.239501 220.9
[M+Na-2H]- 403.200316 194.0
[M]+ 382.22510142 195.1
[M]- 382.22619858 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

patents stripe