CID 16072555

N-(3-(benzyloxy)phenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C24H28N2O3
SMILES
C1CCC(CC1)N2CC(CC2=O)C(=O)NC3=CC(=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C24H28N2O3/c27-23-14-19(16-26(23)21-11-5-2-6-12-21)24(28)25-20-10-7-13-22(15-20)29-17-18-8-3-1-4-9-18/h1,3-4,7-10,13,15,19,21H,2,5-6,11-12,14,16-17H2,(H,25,28)
InChIKey
KKKRHTIZSAOPTK-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-oxo-N-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.21 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.21728 194.9
[M+Na]+ 415.19922 196.1
[M-H]- 391.20272 204.4
[M+NH4]+ 410.24382 204.7
[M+K]+ 431.17316 190.9
[M+H-H2O]+ 375.20726 183.7
[M+HCOO]- 437.20820 211.6
[M+CH3COO]- 451.22385 221.4
[M+Na-2H]- 413.18467 192.0
[M]+ 392.20945 188.7
[M]- 392.21055 188.7
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.