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
7
Annotation Hits

650
References

2213
Patents

378.23074 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.23802 195.8
[M+Na]+ 401.21996 209.2
[M+NH4]+ 396.26456 204.7
[M+K]+ 417.19390 200.3
[M-H]- 377.22346 203.8
[M+Na-2H]- 399.20541 204.9
[M]+ 378.23019 200.1
[M]- 378.23129 200.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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