CID 24835400

91375-85-8

Structural Information

Molecular Formula
C15H22N2O3S
SMILES
CC(C)(C)NCC(COC1=CC2=C(C=C1)SCC(=O)N2)O
InChI
InChI=1S/C15H22N2O3S/c1-15(2,3)16-7-10(18)8-20-11-4-5-13-12(6-11)17-14(19)9-21-13/h4-6,10,16,18H,7-9H2,1-3H3,(H,17,19)
InChIKey
MCKXLQBYMCPQAP-UHFFFAOYSA-N
Compound name
6-[3-(tert-butylamino)-2-hydroxypropoxy]-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

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.14238 171.2
[M+Na]+ 333.12432 179.4
[M+NH4]+ 328.16892 177.5
[M+K]+ 349.09826 173.1
[M-H]- 309.12782 171.1
[M+Na-2H]- 331.10977 173.4
[M]+ 310.13455 172.5
[M]- 310.13565 172.5
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.