CID 488954

Chembl95295

Structural Information

Molecular Formula
C26H27NO2
SMILES
CCN(CC1CC(C(=O)O1)(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C26H27NO2/c1-2-27(19-21-12-6-3-7-13-21)20-24-18-26(25(28)29-24,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,24H,2,18-20H2,1H3
InChIKey
XOXHNGJIQWSRGG-UHFFFAOYSA-N
Compound name
5-[[benzyl(ethyl)amino]methyl]-3,3-diphenyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.2042 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.21148 196.5
[M+Na]+ 408.19342 200.7
[M-H]- 384.19692 210.2
[M+NH4]+ 403.23802 209.5
[M+K]+ 424.16736 196.7
[M+H-H2O]+ 368.20146 186.0
[M+HCOO]- 430.20240 218.4
[M+CH3COO]- 444.21805 206.3
[M+Na-2H]- 406.17887 197.7
[M]+ 385.20365 196.4
[M]- 385.20475 196.4
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.