CID 24835414

91375-87-0

Structural Information

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

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.14238 169.6
[M+Na]+ 333.12432 173.2
[M-H]- 309.12782 168.7
[M+NH4]+ 328.16892 182.6
[M+K]+ 349.09826 168.8
[M+H-H2O]+ 293.13236 162.6
[M+HCOO]- 355.13330 179.4
[M+CH3COO]- 369.14895 203.3
[M+Na-2H]- 331.10977 169.9
[M]+ 310.13455 169.2
[M]- 310.13565 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.