CID 24835410

91375-81-4

Structural Information

Molecular Formula
C14H20N2O3S
SMILES
CC(C)NCC(COC1=CC2=C(C=C1)SCC(=O)N2)O
InChI
InChI=1S/C14H20N2O3S/c1-9(2)15-6-10(17)7-19-11-3-4-13-12(5-11)16-14(18)8-20-13/h3-5,9-10,15,17H,6-8H2,1-2H3,(H,16,18)
InChIKey
UZNAGINUMNRQJC-UHFFFAOYSA-N
Compound name
6-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4H-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.11948 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.126756 165.4
[M+Na]+ 319.108698 169.3
[M-H]- 295.112204 164.6
[M+NH4]+ 314.153303 178.9
[M+K]+ 335.082638 165.2
[M+H-H2O]+ 279.116740 158.5
[M+HCOO]- 341.117681 175.4
[M+CH3COO]- 355.133331 200.4
[M+Na-2H]- 317.094146 166.1
[M]+ 296.11893142 164.6
[M]- 296.12002858 164.6
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.