CID 366013

Nsc634186

Structural Information

Molecular Formula
C20H19NO3
SMILES
C1CC(=O)N(C1)C2(C(C(=O)O2)C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C20H19NO3/c22-17-12-7-13-21(17)20(14-15-8-3-1-4-9-15)18(19(23)24-20)16-10-5-2-6-11-16/h1-6,8-11,18H,7,12-14H2
InChIKey
DNJDYUUIZCUUIV-UHFFFAOYSA-N
Compound name
1-(2-benzyl-4-oxo-3-phenyloxetan-2-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1365 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14378 167.9
[M+Na]+ 344.12572 173.6
[M-H]- 320.12922 179.4
[M+NH4]+ 339.17032 176.2
[M+K]+ 360.09966 173.2
[M+H-H2O]+ 304.13376 154.4
[M+HCOO]- 366.13470 186.6
[M+CH3COO]- 380.15035 178.9
[M+Na-2H]- 342.11117 169.9
[M]+ 321.13595 175.5
[M]- 321.13705 175.5
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.