CID 28736

Acetophenone, 2-(4-(m-methylbenzyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride

Structural Information

Molecular Formula
C23H30N2O4
SMILES
CC1=CC(=CC=C1)CN2CCN(CC2)CC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C23H30N2O4/c1-17-6-5-7-18(12-17)15-24-8-10-25(11-9-24)16-20(26)19-13-21(27-2)23(29-4)22(14-19)28-3/h5-7,12-14H,8-11,15-16H2,1-4H3
InChIKey
USVLUCVBDQGAGG-UHFFFAOYSA-N
Compound name
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.22055 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.22783 199.1
[M+Na]+ 421.20977 212.5
[M+NH4]+ 416.25437 204.8
[M+K]+ 437.18371 205.2
[M-H]- 397.21327 203.3
[M+Na-2H]- 419.19522 205.6
[M]+ 398.22000 202.1
[M]- 398.22110 202.1
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.