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]+ 423.22783 204.8
[M+Na]+ 445.20977 217.9
[M+NH4]+ 440.25437 210.9
[M+K]+ 461.18371 210.3
[M-H]- 421.21327 211.0
[M+Na-2H]- 443.19522 212.1
[M]+ 422.22000 208.3
[M]- 422.22110 208.3
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.