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]+ 393.217276 197.4
[M+Na]+ 415.199218 199.3
[M-H]- 391.202724 205.1
[M+NH4]+ 410.243823 204.1
[M+K]+ 431.173158 193.9
[M+H-H2O]+ 375.207260 184.4
[M+HCOO]- 437.208201 209.2
[M+CH3COO]- 451.223851 203.9
[M+Na-2H]- 413.184666 194.8
[M]+ 392.20945142 190.3
[M]- 392.21054858 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.