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

4
Patents

373.10962 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11690 183.3
[M+Na]+ 396.09884 191.8
[M-H]- 372.10234 188.4
[M+NH4]+ 391.14344 195.8
[M+K]+ 412.07278 187.5
[M+H-H2O]+ 356.10688 174.5
[M+HCOO]- 418.10782 197.1
[M+CH3COO]- 432.12347 217.6
[M+Na-2H]- 394.08429 186.7
[M]+ 373.10907 188.0
[M]- 373.11017 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