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 196.6
[M+Na]+ 415.23559 195.6
[M-H]- 391.23909 204.4
[M+NH4]+ 410.28019 203.4
[M+K]+ 431.20953 192.1
[M+H-H2O]+ 375.24363 185.1
[M+HCOO]- 437.24457 206.7
[M+CH3COO]- 451.26022 202.7
[M+Na-2H]- 413.22104 194.8
[M]+ 392.24582 189.5
[M]- 392.24692 189.5
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

No patent data available for this compound.