CID 13469562

91375-97-2

Structural Information

Molecular Formula
C14H20N2O3S
SMILES
CC(C)NCC(COC1=CC=CC2=C1SCC(=O)N2)O
InChI
InChI=1S/C14H20N2O3S/c1-9(2)15-6-10(17)7-19-12-5-3-4-11-14(12)20-8-13(18)16-11/h3-5,9-10,15,17H,6-8H2,1-2H3,(H,16,18)
InChIKey
FUENENDWWIPSRG-UHFFFAOYSA-N
Compound name
8-[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]+ 297.12676 165.4
[M+Na]+ 319.10870 169.3
[M-H]- 295.11220 164.6
[M+NH4]+ 314.15330 178.9
[M+K]+ 335.08264 165.2
[M+H-H2O]+ 279.11674 158.5
[M+HCOO]- 341.11768 175.4
[M+CH3COO]- 355.13333 200.4
[M+Na-2H]- 317.09415 166.1
[M]+ 296.11893 164.6
[M]- 296.12003 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.