CID 488951

Aziridinium, 1-ethyl-1-(tetrahydro-5-oxo-4,4-diphenyl-2-furanyl)methyl-

Structural Information

Molecular Formula
C21H24NO2
SMILES
CC[N+]1(CC1)CC2CC(C(=O)O2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H24NO2/c1-2-22(13-14-22)16-19-15-21(20(23)24-19,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3/q+1
InChIKey
PWJDLJPCZKSMGH-UHFFFAOYSA-N
Compound name
5-[(1-ethylaziridin-1-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1807 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.18798 169.8
[M+Na]+ 345.16992 177.8
[M-H]- 321.17342 182.1
[M+NH4]+ 340.21452 181.6
[M+K]+ 361.14386 170.3
[M+H-H2O]+ 305.17796 164.3
[M+HCOO]- 367.17890 189.0
[M+CH3COO]- 381.19455 201.3
[M+Na-2H]- 343.15537 176.0
[M]+ 322.18015 170.6
[M]- 322.18125 170.6
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.