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 190.2
[M+Na]+ 406.15597 195.1
[M-H]- 382.15947 192.6
[M+NH4]+ 401.20057 199.8
[M+K]+ 422.12991 189.0
[M+H-H2O]+ 366.16401 179.5
[M+HCOO]- 428.16495 196.7
[M+CH3COO]- 442.18060 197.1
[M+Na-2H]- 404.14142 191.6
[M]+ 383.16620 189.6
[M]- 383.16730 189.6
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.