CID 3051467

Brn 1017910

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]+ 326.168526 174.5
[M+Na]+ 348.150468 179.6
[M-H]- 324.153974 176.9
[M+NH4]+ 343.195073 186.4
[M+K]+ 364.124408 173.1
[M+H-H2O]+ 308.158510 164.1
[M+HCOO]- 370.159451 181.2
[M+CH3COO]- 384.175101 182.4
[M+Na-2H]- 346.135916 177.2
[M]+ 325.16070142 171.0
[M]- 325.16179858 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.