CID 3056287

Brn 5119711

Structural Information

Molecular Formula
C17H13NO4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=O)SC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C17H13NO4S2/c1-12-7-9-14(10-8-12)24(20,21)22-15-11-16(19)23-17(18-15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKey
FALVVMXKKCEXAE-UHFFFAOYSA-N
Compound name
(6-oxo-2-phenyl-1,3-thiazin-4-yl) 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.0286 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.03588 177.4
[M+Na]+ 382.01782 193.0
[M+NH4]+ 377.06242 185.1
[M+K]+ 397.99176 182.1
[M-H]- 358.02132 182.6
[M+Na-2H]- 380.00327 187.7
[M]+ 359.02805 182.3
[M]- 359.02915 182.3
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.