CID 3087865

N-(2-(4-benzhydryloxyethyl-1-piperazinyl)ethyl)-2,5-pyrrolidinedione dimethanesulfonate

Structural Information

Molecular Formula
C25H31N3O3
SMILES
C1CC(=O)N(C1=O)CCN2CCN(CC2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H31N3O3/c29-23-11-12-24(30)28(23)18-17-26-13-15-27(16-14-26)19-20-31-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-10,25H,11-20H2
InChIKey
XJSZVMGJBOVAKX-UHFFFAOYSA-N
Compound name
1-[2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.23654 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.24382 204.4
[M+Na]+ 444.22576 205.7
[M-H]- 420.22926 210.8
[M+NH4]+ 439.27036 210.2
[M+K]+ 460.19970 199.8
[M+H-H2O]+ 404.23380 191.0
[M+HCOO]- 466.23474 216.8
[M+CH3COO]- 480.25039 225.1
[M+Na-2H]- 442.21121 200.0
[M]+ 421.23599 200.0
[M]- 421.23709 200.0
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.