CID 217737

39547-57-4

Structural Information

Molecular Formula
C15H20N6O2S
SMILES
C1CN(CCN1)C2=NC3=C(C(=N2)N4CCS(=O)(=O)CC4)N=CC=C3
InChI
InChI=1S/C15H20N6O2S/c22-24(23)10-8-20(9-11-24)14-13-12(2-1-3-17-13)18-15(19-14)21-6-4-16-5-7-21/h1-3,16H,4-11H2
InChIKey
VRNTXZZAXIBOPH-UHFFFAOYSA-N
Compound name
4-(2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

348.13684 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.14412 181.7
[M+Na]+ 371.12606 188.6
[M-H]- 347.12956 181.6
[M+NH4]+ 366.17066 188.4
[M+K]+ 387.10000 181.5
[M+H-H2O]+ 331.13410 169.8
[M+HCOO]- 393.13504 184.7
[M+CH3COO]- 407.15069 187.8
[M+Na-2H]- 369.11151 184.5
[M]+ 348.13629 175.2
[M]- 348.13739 175.2
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