CID 3048153

D 248

Structural Information

Molecular Formula
C20H23N3O2S
SMILES
C1CCN(CC1)CCCOC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C20H23N3O2S/c24-20(25-15-7-14-22-12-4-1-5-13-22)23-16-8-2-3-9-17(16)26-18-10-6-11-21-19(18)23/h2-3,6,8-11H,1,4-5,7,12-15H2
InChIKey
OFKXGKFINQWJNE-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.1511 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15838 185.1
[M+Na]+ 392.14032 198.5
[M+NH4]+ 387.18492 193.4
[M+K]+ 408.11426 188.1
[M-H]- 368.14382 188.9
[M+Na-2H]- 390.12577 191.1
[M]+ 369.15055 188.6
[M]- 369.15165 188.6
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.