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

15
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

patents stripe