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]+ 342.12708 177.6
[M+Na]+ 364.10902 184.0
[M-H]- 340.11252 180.6
[M+NH4]+ 359.15362 189.0
[M+K]+ 380.08296 178.5
[M+H-H2O]+ 324.11706 167.5
[M+HCOO]- 386.11800 185.1
[M+CH3COO]- 400.13365 185.9
[M+Na-2H]- 362.09447 180.4
[M]+ 341.11925 176.2
[M]- 341.12035 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.