CID 21330

Oxycarboxin

Structural Information

Molecular Formula
C12H13NO4S
SMILES
CC1=C(S(=O)(=O)CCO1)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
InChIKey
AMEKQAFGQBKLKX-UHFFFAOYSA-N
Compound name
6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

14
References

32141
Patents

267.05652 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06380 155.1
[M+Na]+ 290.04574 162.9
[M-H]- 266.04924 162.8
[M+NH4]+ 285.09034 172.3
[M+K]+ 306.01968 161.1
[M+H-H2O]+ 250.05378 148.7
[M+HCOO]- 312.05472 172.7
[M+CH3COO]- 326.07037 193.5
[M+Na-2H]- 288.03119 159.9
[M]+ 267.05597 156.9
[M]- 267.05707 156.9
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.