CID 3048143

D 727

Structural Information

Molecular Formula
C21H25N3O2S
SMILES
CC1CCCCN1CCCOC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C21H25N3O2S/c1-16-8-4-5-13-23(16)14-7-15-26-21(25)24-17-9-2-3-10-18(17)27-19-11-6-12-22-20(19)24/h2-3,6,9-12,16H,4-5,7-8,13-15H2,1H3
InChIKey
MCTKVXWUMPDZBK-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.16675 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.17403 190.0
[M+Na]+ 406.15597 203.5
[M+NH4]+ 401.20057 198.1
[M+K]+ 422.12991 193.0
[M-H]- 382.15947 193.9
[M+Na-2H]- 404.14142 195.5
[M]+ 383.16620 193.5
[M]- 383.16730 193.5
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.