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 197.4
[M+Na]+ 415.19922 199.3
[M-H]- 391.20272 205.1
[M+NH4]+ 410.24382 204.1
[M+K]+ 431.17316 193.9
[M+H-H2O]+ 375.20726 184.4
[M+HCOO]- 437.20820 209.2
[M+CH3COO]- 451.22385 203.9
[M+Na-2H]- 413.18467 194.8
[M]+ 392.20945 190.3
[M]- 392.21055 190.3
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.