CID 21595355

118854-49-2

Structural Information

Molecular Formula
C18H19N3O4S
SMILES
CC(C)OC1=C(N(S(=O)(=O)C2=CC=CC=C21)C)C(=O)NC3=CC=CC=N3
InChI
InChI=1S/C18H19N3O4S/c1-12(2)25-17-13-8-4-5-9-14(13)26(23,24)21(3)16(17)18(22)20-15-10-6-7-11-19-15/h4-12H,1-3H3,(H,19,20,22)
InChIKey
QVXLLXYBMYQMMD-UHFFFAOYSA-N
Compound name
2-methyl-1,1-dioxo-4-propan-2-yloxy-N-pyridin-2-yl-1lambda6,2-benzothiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

373.10962 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.116896 183.3
[M+Na]+ 396.098838 191.8
[M-H]- 372.102344 188.4
[M+NH4]+ 391.143443 195.8
[M+K]+ 412.072778 187.5
[M+H-H2O]+ 356.106880 174.5
[M+HCOO]- 418.107821 197.1
[M+CH3COO]- 432.123471 217.6
[M+Na-2H]- 394.084286 186.7
[M]+ 373.10907142 188.0
[M]- 373.11016858 188.0
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

patents stripe