CID 3065654

108586-70-5

Structural Information

Molecular Formula
C18H18N2O4S
SMILES
CC1=CC(=NC2=C1C(=C(N(S2(=O)=O)CC3=CC=CC=C3)C(=O)C)O)C
InChI
InChI=1S/C18H18N2O4S/c1-11-9-12(2)19-18-15(11)17(22)16(13(3)21)20(25(18,23)24)10-14-7-5-4-6-8-14/h4-9,22H,10H2,1-3H3
InChIKey
SNEKMBDYLWEMIE-UHFFFAOYSA-N
Compound name
1-(2-benzyl-4-hydroxy-5,7-dimethyl-1,1-dioxopyrido[3,2-e]thiazin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.09872 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.10600 181.7
[M+Na]+ 381.08794 196.4
[M+NH4]+ 376.13254 189.3
[M+K]+ 397.06188 186.3
[M-H]- 357.09144 184.0
[M+Na-2H]- 379.07339 188.7
[M]+ 358.09817 185.1
[M]- 358.09927 185.1
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.