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 178.7
[M+Na]+ 362.16612 183.3
[M-H]- 338.16962 180.9
[M+NH4]+ 357.21072 190.0
[M+K]+ 378.14006 176.6
[M+H-H2O]+ 322.17416 168.1
[M+HCOO]- 384.17510 185.0
[M+CH3COO]- 398.19075 186.1
[M+Na-2H]- 360.15157 180.9
[M]+ 339.17635 175.5
[M]- 339.17745 175.5
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.