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

15
Patents

392.21 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.217276 197.0
[M+Na]+ 415.199218 201.6
[M-H]- 391.202724 206.5
[M+NH4]+ 410.243823 206.9
[M+K]+ 431.173158 197.0
[M+H-H2O]+ 375.207260 185.4
[M+HCOO]- 437.208201 211.4
[M+CH3COO]- 451.223851 205.2
[M+Na-2H]- 413.184666 195.1
[M]+ 392.20945142 193.9
[M]- 392.21054858 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

literature stripe

Patent stripe

patents stripe