CID 1514

Al6528

Structural Information

Molecular Formula
C13H12N2O5S3
SMILES
COC1=CC=CC(=C1)N2C=CC3=C(S2(=O)=O)SC(=C3)S(=O)(=O)N
InChI
InChI=1S/C13H12N2O5S3/c1-20-11-4-2-3-10(8-11)15-6-5-9-7-12(22(14,16)17)21-13(9)23(15,18)19/h2-8H,1H3,(H2,14,16,17)
InChIKey
FBBLOSCXOZYUSS-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

371.99084 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.99812 180.4
[M+Na]+ 394.98006 191.0
[M-H]- 370.98356 185.2
[M+NH4]+ 390.02466 195.7
[M+K]+ 410.95400 184.2
[M+H-H2O]+ 354.98810 175.7
[M+HCOO]- 416.98904 187.0
[M+CH3COO]- 431.00469 209.3
[M+Na-2H]- 392.96551 185.2
[M]+ 371.99029 184.9
[M]- 371.99139 184.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe