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]+ 342.12708 178.1
[M+Na]+ 364.10902 184.9
[M-H]- 340.11252 181.8
[M+NH4]+ 359.15362 191.6
[M+K]+ 380.08296 179.7
[M+H-H2O]+ 324.11706 169.0
[M+HCOO]- 386.11800 188.2
[M+CH3COO]- 400.13365 187.2
[M+Na-2H]- 362.09447 179.4
[M]+ 341.11925 178.9
[M]- 341.12035 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.