CID 3051462

D 238

Structural Information

Molecular Formula
C20H25N3S
SMILES
CC(CN1CCCCC1)CN2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C20H25N3S/c1-16(14-22-12-5-2-6-13-22)15-23-17-8-3-4-9-18(17)24-19-10-7-11-21-20(19)23/h3-4,7-11,16H,2,5-6,12-15H2,1H3
InChIKey
OLRLRJCTSVUGMX-UHFFFAOYSA-N
Compound name
10-(2-methyl-3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1769 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.18418 179.1
[M+Na]+ 362.16612 193.4
[M+NH4]+ 357.21072 188.8
[M+K]+ 378.14006 182.0
[M-H]- 338.16962 184.2
[M+Na-2H]- 360.15157 186.0
[M]+ 339.17635 183.2
[M]- 339.17745 183.2
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.