CID 3063802

101626-71-5

Structural Information

Molecular Formula
C25H30N2O4
SMILES
COC1=CC=C(C=C1)C(=O)C2CCCC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C25H30N2O4/c1-30-20-10-6-18(7-11-20)24(28)22-4-3-5-23(25(22)29)27-16-14-26(15-17-27)19-8-12-21(31-2)13-9-19/h6-13,22-23H,3-5,14-17H2,1-2H3
InChIKey
ISOZBTGBAXTRPI-UHFFFAOYSA-N
Compound name
2-(4-methoxybenzoyl)-6-[4-(4-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]+ 423.227826 204.7
[M+Na]+ 445.209768 206.8
[M-H]- 421.213274 212.6
[M+NH4]+ 440.254373 210.3
[M+K]+ 461.183708 202.1
[M+H-H2O]+ 405.217810 191.5
[M+HCOO]- 467.218751 216.2
[M+CH3COO]- 481.234401 228.0
[M+Na-2H]- 443.195216 201.0
[M]+ 422.22000142 199.8
[M]- 422.22109858 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.