CID 3051467

67465-80-9

Structural Information

Molecular Formula
C19H23N3S
SMILES
CC(CN1C2=CC=CC=C2SC3=C1N=CC=C3)N4CCCCC4
InChI
InChI=1S/C19H23N3S/c1-15(21-12-5-2-6-13-21)14-22-16-8-3-4-9-17(16)23-18-10-7-11-20-19(18)22/h3-4,7-11,15H,2,5-6,12-14H2,1H3
InChIKey
SFOIYGRFPPJSRQ-UHFFFAOYSA-N
Compound name
10-(2-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.16125 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16853 174.5
[M+Na]+ 348.15047 179.6
[M-H]- 324.15397 176.9
[M+NH4]+ 343.19507 186.4
[M+K]+ 364.12441 173.1
[M+H-H2O]+ 308.15851 164.1
[M+HCOO]- 370.15945 181.2
[M+CH3COO]- 384.17510 182.4
[M+Na-2H]- 346.13592 177.2
[M]+ 325.16070 171.0
[M]- 325.16180 171.0
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.