CID 217739

39551-47-8

Structural Information

Molecular Formula
C15H20N6OS
SMILES
C1CN(CCN1)C2=NC(=NC3=C2N=CC=C3)N4CCS(=O)CC4
InChI
InChI=1S/C15H20N6OS/c22-23-10-8-21(9-11-23)15-18-12-2-1-3-17-13(12)14(19-15)20-6-4-16-5-7-20/h1-3,16H,4-11H2
InChIKey
KAFFDLRZAALSBI-UHFFFAOYSA-N
Compound name
4-(4-piperazin-1-ylpyrido[3,2-d]pyrimidin-2-yl)-1,4-thiazinane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

332.14194 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14922 178.3
[M+Na]+ 355.13116 184.4
[M-H]- 331.13466 177.9
[M+NH4]+ 350.17576 183.9
[M+K]+ 371.10510 176.6
[M+H-H2O]+ 315.13920 166.5
[M+HCOO]- 377.14014 181.0
[M+CH3COO]- 391.15579 184.3
[M+Na-2H]- 353.11661 179.9
[M]+ 332.14139 170.8
[M]- 332.14249 170.8
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

patents stripe