CID 4369172

Al-6619, [2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide,2-(3-hydroxyphenyl)-3-(4-morpholinyl)-, 1,1-dioxide]

Structural Information

Molecular Formula
C17H19N3O6S3
SMILES
C1COCCN1CC2=CC3=C(SC(=C3)S(=O)(=O)N)S(=O)(=O)N2C4=CC(=CC=C4)O
InChI
InChI=1S/C17H19N3O6S3/c18-28(22,23)16-9-12-8-14(11-19-4-6-26-7-5-19)20(29(24,25)17(12)27-16)13-2-1-3-15(21)10-13/h1-3,8-10,21H,4-7,11H2,(H2,18,22,23)
InChIKey
PZLYYZPXSSNGJS-UHFFFAOYSA-N
Compound name
2-(3-hydroxyphenyl)-3-(morpholin-4-ylmethyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

38
Patents

457.0436 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.05088 197.4
[M+Na]+ 480.03282 205.2
[M-H]- 456.03632 202.1
[M+NH4]+ 475.07742 205.8
[M+K]+ 496.00676 199.2
[M+H-H2O]+ 440.04086 192.5
[M+HCOO]- 502.04180 198.0
[M+CH3COO]- 516.05745 204.3
[M+Na-2H]- 478.01827 201.5
[M]+ 457.04305 198.1
[M]- 457.04415 198.1
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