CID 3048155

D 251

Structural Information

Molecular Formula
C18H19N3O2S
SMILES
C1CCN(C1)CCOC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C18H19N3O2S/c22-18(23-13-12-20-10-3-4-11-20)21-14-6-1-2-7-15(14)24-16-8-5-9-19-17(16)21/h1-2,5-9H,3-4,10-13H2
InChIKey
FVBYYAIOPWIGDX-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl 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 178.1
[M+Na]+ 364.109018 184.9
[M-H]- 340.112524 181.8
[M+NH4]+ 359.153623 191.6
[M+K]+ 380.082958 179.7
[M+H-H2O]+ 324.117060 169.0
[M+HCOO]- 386.118001 188.2
[M+CH3COO]- 400.133651 187.2
[M+Na-2H]- 362.094466 179.4
[M]+ 341.11925142 178.9
[M]- 341.12034858 178.9
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.