CID 24835416

91375-83-6

Structural Information

Molecular Formula
C15H22N2O3S
SMILES
CC(C)CNCC(COC1=CC2=C(C=C1)SCC(=O)N2)O
InChI
InChI=1S/C15H22N2O3S/c1-10(2)6-16-7-11(18)8-20-12-3-4-14-13(5-12)17-15(19)9-21-14/h3-5,10-11,16,18H,6-9H2,1-2H3,(H,17,19)
InChIKey
LVSCQNCHJTYSKU-UHFFFAOYSA-N
Compound name
6-[2-hydroxy-3-(2-methylpropylamino)propoxy]-4H-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1351 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.142376 169.6
[M+Na]+ 333.124318 173.2
[M-H]- 309.127824 168.7
[M+NH4]+ 328.168923 182.6
[M+K]+ 349.098258 168.8
[M+H-H2O]+ 293.132360 162.6
[M+HCOO]- 355.133301 179.4
[M+CH3COO]- 369.148951 203.3
[M+Na-2H]- 331.109766 169.9
[M]+ 310.13455142 169.2
[M]- 310.13564858 169.2
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.