CID 3156

Doxapram

Structural Information

Molecular Formula

C₂₄H₃₀N₂O₂

SMILES

CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4

InChI

InChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3

InChIKey

XFDJYSQDBULQSI-UHFFFAOYSA-N

Compound name

1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 651
References: 2753
Patents: 378.23074 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	379.238016	194.8
[M+Na]+	401.219958	198.4
[M-H]-	377.223464	203.9
[M+NH4]+	396.264563	205.2
[M+K]+	417.193898	193.6
[M+H-H2O]+	361.228000	183.0
[M+HCOO]-	423.228941	208.9
[M+CH3COO]-	437.244591	202.8
[M+Na-2H]-	399.205406	193.4
[M]+	378.23019142	190.6
[M]-	378.23128858	190.6

Literature stripe

literature stripe

Patent stripe

patents stripe