CID 1604

Al7182

Structural Information

Molecular Formula
C13H14N2O5S3
SMILES
COC1=CC=CC(=C1)N2CCC3=C(S2(=O)=O)SC(=C3)S(=O)(=O)N
InChI
InChI=1S/C13H14N2O5S3/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/h2-4,7-8H,5-6H2,1H3,(H2,14,16,17)
InChIKey
ICIXQGGQPKFQRL-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

54
Patents

374.0065 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.01378 180.6
[M+Na]+ 396.99572 190.2
[M-H]- 372.99922 184.8
[M+NH4]+ 392.04032 195.8
[M+K]+ 412.96966 183.7
[M+H-H2O]+ 357.00376 176.1
[M+HCOO]- 419.00470 185.9
[M+CH3COO]- 433.02035 209.7
[M+Na-2H]- 394.98117 184.7
[M]+ 374.00595 183.9
[M]- 374.00705 183.9
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