CID 15955638

Chembl200149

Structural Information

Molecular Formula
C14H15N3O2S
SMILES
CN1C(=O)CSC2=C1C=C(C=C2)C(CN3C=CN=C3)O
InChI
InChI=1S/C14H15N3O2S/c1-16-11-6-10(2-3-13(11)20-8-14(16)19)12(18)7-17-5-4-15-9-17/h2-6,9,12,18H,7-8H2,1H3
InChIKey
SBQQELYOMCGKNM-UHFFFAOYSA-N
Compound name
6-(1-hydroxy-2-imidazol-1-ylethyl)-4-methyl-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.0885 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09578 164.9
[M+Na]+ 312.07772 173.6
[M-H]- 288.08122 167.6
[M+NH4]+ 307.12232 179.4
[M+K]+ 328.05166 168.6
[M+H-H2O]+ 272.08576 157.1
[M+HCOO]- 334.08670 176.4
[M+CH3COO]- 348.10235 175.3
[M+Na-2H]- 310.06317 165.0
[M]+ 289.08795 165.8
[M]- 289.08905 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.