CID 469519

(2-oxo-1,4-diphenyl-azetidin-3-yl) methanesulfonate

Structural Information

Molecular Formula
C16H15NO4S
SMILES
CS(=O)(=O)OC1C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H15NO4S/c1-22(19,20)21-15-14(12-8-4-2-5-9-12)17(16(15)18)13-10-6-3-7-11-13/h2-11,14-15H,1H3
InChIKey
KADKAJKDROANDB-UHFFFAOYSA-N
Compound name
(2-oxo-1,4-diphenylazetidin-3-yl) methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.07217 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.07945 164.5
[M+Na]+ 340.06139 171.2
[M-H]- 316.06489 172.6
[M+NH4]+ 335.10599 171.2
[M+K]+ 356.03533 170.5
[M+H-H2O]+ 300.06943 150.2
[M+HCOO]- 362.07037 179.7
[M+CH3COO]- 376.08602 205.2
[M+Na-2H]- 338.04684 167.2
[M]+ 317.07162 176.4
[M]- 317.07272 176.4
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.