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 180.3
[M+Na]+ 382.01782 190.4
[M-H]- 358.02132 189.0
[M+NH4]+ 377.06242 192.0
[M+K]+ 397.99176 183.7
[M+H-H2O]+ 342.02586 171.7
[M+HCOO]- 404.02680 193.1
[M+CH3COO]- 418.04245 207.7
[M+Na-2H]- 380.00327 183.7
[M]+ 359.02805 185.1
[M]- 359.02915 185.1
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.