CID 127021145

Chembl3833389

Structural Information

Molecular Formula
C25H32N2O2
SMILES
C[C@@H](CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N3CCCC3)N4CCOCC4
InChI
InChI=1S/C25H32N2O2/c1-21(26-16-18-29-19-17-26)20-25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3/t21-/m0/s1
InChIKey
XHKXWINHANRSNT-NRFANRHFSA-N
Compound name
(4S)-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

392.24637 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.25365 197.7
[M+Na]+ 415.23559 208.5
[M+NH4]+ 410.28019 204.6
[M+K]+ 431.20953 203.6
[M-H]- 391.23909 204.5
[M+Na-2H]- 413.22104 205.4
[M]+ 392.24582 201.1
[M]- 392.24692 201.1
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.