CID 3039190

42477-81-6

Structural Information

Molecular Formula
C24H28N2O3
SMILES
COC1=CC=C(C=C1)C(=O)C2CCCC(C2=O)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C24H28N2O3/c1-29-20-12-10-18(11-13-20)23(27)21-8-5-9-22(24(21)28)26-16-14-25(15-17-26)19-6-3-2-4-7-19/h2-4,6-7,10-13,21-22H,5,8-9,14-17H2,1H3
InChIKey
ZZIQYGDPXXFJOJ-UHFFFAOYSA-N
Compound name
2-(4-methoxybenzoyl)-6-(4-phenylpiperazin-1-yl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.21 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.21728 197.8
[M+Na]+ 415.19922 211.3
[M+NH4]+ 410.24382 204.7
[M+K]+ 431.17316 203.1
[M-H]- 391.20272 204.5
[M+Na-2H]- 413.18467 206.0
[M]+ 392.20945 201.5
[M]- 392.21055 201.5
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.