CID 54738103

130262-92-9

Structural Information

Molecular Formula
C14H13N3O5S2
SMILES
CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=NC=C(S3)CO
InChI
InChI=1S/C14H13N3O5S2/c1-17-11(13(20)16-14-15-6-8(7-18)23-14)12(19)9-4-2-3-5-10(9)24(17,21)22/h2-6,18-19H,7H2,1H3,(H,15,16,20)
InChIKey
LOOSAJMIEADILV-UHFFFAOYSA-N
Compound name
4-hydroxy-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

367.02966 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.03694 178.0
[M+Na]+ 390.01888 187.8
[M+NH4]+ 385.06348 184.6
[M+K]+ 405.99282 180.3
[M-H]- 366.02238 178.6
[M+Na-2H]- 388.00433 182.6
[M]+ 367.02911 180.3
[M]- 367.03021 180.3
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