CID 473367

N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

Structural Information

Molecular Formula
C11H11NO2S
SMILES
C1CSC(=CO1)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C11H11NO2S/c13-11(10-8-14-6-7-15-10)12-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,12,13)
InChIKey
CVIKSPPRBZMQMH-UHFFFAOYSA-N
Compound name
N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

221.05106 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.05834 145.8
[M+Na]+ 244.04028 151.3
[M-H]- 220.04378 152.8
[M+NH4]+ 239.08488 162.5
[M+K]+ 260.01422 149.4
[M+H-H2O]+ 204.04832 138.8
[M+HCOO]- 266.04926 163.2
[M+CH3COO]- 280.06491 185.7
[M+Na-2H]- 242.02573 150.7
[M]+ 221.05051 144.5
[M]- 221.05161 144.5
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.