CID 3048145

D 226

Structural Information

Molecular Formula
C18H19N3O2S
SMILES
CN1CCC(CC1)OC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C18H19N3O2S/c1-20-11-8-13(9-12-20)23-18(22)21-14-5-2-3-6-15(14)24-16-7-4-10-19-17(16)21/h2-7,10,13H,8-9,11-12H2,1H3
InChIKey
ALJKRCDETVGSRG-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1198 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.127076 177.6
[M+Na]+ 364.109018 184.0
[M-H]- 340.112524 180.6
[M+NH4]+ 359.153623 189.0
[M+K]+ 380.082958 178.5
[M+H-H2O]+ 324.117060 167.5
[M+HCOO]- 386.118001 185.1
[M+CH3COO]- 400.133651 185.9
[M+Na-2H]- 362.094466 180.4
[M]+ 341.11925142 176.2
[M]- 341.12034858 176.2
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.