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 208.3
[M+Na]+ 444.22576 211.9
[M-H]- 420.22926 215.1
[M+NH4]+ 439.27036 213.1
[M+K]+ 460.19970 205.4
[M+H-H2O]+ 404.23380 194.3
[M+HCOO]- 466.23474 219.2
[M+CH3COO]- 480.25039 228.8
[M+Na-2H]- 442.21121 204.7
[M]+ 421.23599 203.4
[M]- 421.23709 203.4
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.