CID 24835420

91375-99-4

Structural Information

Molecular Formula
C15H22N2O3S
SMILES
CC(C)CNCC(COC1=CC=CC2=C1SCC(=O)N2)O
InChI
InChI=1S/C15H22N2O3S/c1-10(2)6-16-7-11(18)8-20-13-5-3-4-12-15(13)21-9-14(19)17-12/h3-5,10-11,16,18H,6-9H2,1-2H3,(H,17,19)
InChIKey
LIISQDCRUQOLAL-UHFFFAOYSA-N
Compound name
8-[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]+ 311.14238 170.1
[M+Na]+ 333.12432 178.3
[M+NH4]+ 328.16892 176.5
[M+K]+ 349.09826 171.6
[M-H]- 309.12782 170.4
[M+Na-2H]- 331.10977 172.1
[M]+ 310.13455 171.4
[M]- 310.13565 171.4
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.