CID 3048149

D 227

Structural Information

Molecular Formula
C19H21N3O2S
SMILES
C1CCN(CC1)CCOC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C19H21N3O2S/c23-19(24-14-13-21-11-4-1-5-12-21)22-15-7-2-3-8-16(15)25-17-9-6-10-20-18(17)22/h2-3,6-10H,1,4-5,11-14H2
InChIKey
TYBYNSAXCWXBSA-UHFFFAOYSA-N
Compound name
2-piperidin-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

355.13544 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14272 180.9
[M+Na]+ 378.12466 194.4
[M+NH4]+ 373.16926 189.3
[M+K]+ 394.09860 184.2
[M-H]- 354.12816 184.7
[M+Na-2H]- 376.11011 187.1
[M]+ 355.13489 184.3
[M]- 355.13599 184.3
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.