CID 3063751

2-(p-methoxybenzoyl)-6-(4-(o-methoxyphenyl)-1-piperazinyl)cyclohexanone hydrochloride

Structural Information

Molecular Formula
C25H30N2O4
SMILES
COC1=CC=C(C=C1)C(=O)C2CCCC(C2=O)N3CCN(CC3)C4=CC=CC=C4OC
InChI
InChI=1S/C25H30N2O4/c1-30-19-12-10-18(11-13-19)24(28)20-6-5-8-22(25(20)29)27-16-14-26(15-17-27)21-7-3-4-9-23(21)31-2/h3-4,7,9-13,20,22H,5-6,8,14-17H2,1-2H3
InChIKey
JRXBVCNYJDLXPW-UHFFFAOYSA-N
Compound name
2-(4-methoxybenzoyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.22055 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.22783 204.7
[M+Na]+ 445.20977 206.8
[M-H]- 421.21327 212.6
[M+NH4]+ 440.25437 210.3
[M+K]+ 461.18371 202.1
[M+H-H2O]+ 405.21781 191.5
[M+HCOO]- 467.21875 216.2
[M+CH3COO]- 481.23440 228.0
[M+Na-2H]- 443.19522 201.0
[M]+ 422.22000 199.8
[M]- 422.22110 199.8
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.