CID 3051468

10h-pyrido(3,2-b)(1,4)benzothiazine, 10-(3-piperidinopropyl)-

Structural Information

Molecular Formula
C19H23N3S
SMILES
C1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C19H23N3S/c1-4-12-21(13-5-1)14-7-15-22-16-8-2-3-9-17(16)23-18-10-6-11-20-19(18)22/h2-3,6,8-11H,1,4-5,7,12-15H2
InChIKey
SDZKANHNDPSNKC-UHFFFAOYSA-N
Compound name
10-(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

325.16125 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16853 174.4
[M+Na]+ 348.15047 179.8
[M-H]- 324.15397 176.7
[M+NH4]+ 343.19507 186.4
[M+K]+ 364.12441 172.9
[M+H-H2O]+ 308.15851 163.7
[M+HCOO]- 370.15945 182.1
[M+CH3COO]- 384.17510 182.4
[M+Na-2H]- 346.13592 178.0
[M]+ 325.16070 171.4
[M]- 325.16180 171.4
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.