CID 162522

2-ketodoxapram

Structural Information

Molecular Formula
C24H28N2O3
SMILES
CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4=O
InChI
InChI=1S/C24H28N2O3/c1-2-25-17-21(13-14-26-15-16-29-18-22(26)27)24(23(25)28,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21H,2,13-18H2,1H3
InChIKey
LLCHHQQQMSDZLP-UHFFFAOYSA-N
Compound name
4-[2-(1-ethyl-5-oxo-4,4-diphenylpyrrolidin-3-yl)ethyl]morpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

14
Patents

392.21 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.21728 197.0
[M+Na]+ 415.19922 201.6
[M-H]- 391.20272 206.5
[M+NH4]+ 410.24382 206.9
[M+K]+ 431.17316 197.0
[M+H-H2O]+ 375.20726 185.4
[M+HCOO]- 437.20820 211.4
[M+CH3COO]- 451.22385 205.2
[M+Na-2H]- 413.18467 195.1
[M]+ 392.20945 193.9
[M]- 392.21055 193.9
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.