CID 3061492

79322-97-7

Structural Information

Molecular Formula
C25H31N3O3
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CCN3C(=O)CC(CC3=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C25H31N3O3/c1-19-3-7-22(8-4-19)27-14-11-26(12-15-27)13-16-28-24(29)17-21(18-25(28)30)20-5-9-23(31-2)10-6-20/h3-10,21H,11-18H2,1-2H3
InChIKey
FVBXGNISQGJETM-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-1-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.23654 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.24382 207.6
[M+Na]+ 444.22576 221.7
[M+NH4]+ 439.27036 213.5
[M+K]+ 460.19970 213.1
[M-H]- 420.22926 213.7
[M+Na-2H]- 442.21121 214.8
[M]+ 421.23599 211.3
[M]- 421.23709 211.3
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.