CID 213835

27125-10-6

Structural Information

Molecular Formula
C20H28N4O3
SMILES
C1CCN(C1)C(=O)CN2CCN(CC2)CC3CN(C(=O)O3)C4=CC=CC=C4
InChI
InChI=1S/C20H28N4O3/c25-19(23-8-4-5-9-23)16-22-12-10-21(11-13-22)14-18-15-24(20(26)27-18)17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2
InChIKey
BMRFKQHARKDAML-UHFFFAOYSA-N
Compound name
5-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.21616 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.22344 190.8
[M+Na]+ 395.20538 192.5
[M-H]- 371.20888 197.2
[M+NH4]+ 390.24998 198.1
[M+K]+ 411.17932 189.4
[M+H-H2O]+ 355.21342 178.9
[M+HCOO]- 417.21436 200.8
[M+CH3COO]- 431.23001 197.4
[M+Na-2H]- 393.19083 184.1
[M]+ 372.21561 184.2
[M]- 372.21671 184.2
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.