CID 204675

1-cyclohexyl-4-(3,4,5-trimethoxybenzoylethyl)piperazine hydrochloride

Structural Information

Molecular Formula
C22H34N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)CCN2CCN(CC2)C3CCCCC3
InChI
InChI=1S/C22H34N2O4/c1-26-20-15-17(16-21(27-2)22(20)28-3)19(25)9-10-23-11-13-24(14-12-23)18-7-5-4-6-8-18/h15-16,18H,4-14H2,1-3H3
InChIKey
CZMAGZBYYUHESP-UHFFFAOYSA-N
Compound name
3-(4-cyclohexylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.25186 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.25914 197.8
[M+Na]+ 413.24108 199.1
[M-H]- 389.24458 202.4
[M+NH4]+ 408.28568 205.5
[M+K]+ 429.21502 196.0
[M+H-H2O]+ 373.24912 186.2
[M+HCOO]- 435.25006 209.2
[M+CH3COO]- 449.26571 222.3
[M+Na-2H]- 411.22653 194.2
[M]+ 390.25131 195.2
[M]- 390.25241 195.2
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.