CID 3079331

125209-33-8

Structural Information

Molecular Formula
C13H13N3O2S2
SMILES
C1CSCCN1C(=O)SC2=CC=CN3C2=NC=CC3=O
InChI
InChI=1S/C13H13N3O2S2/c17-11-3-4-14-12-10(2-1-5-16(11)12)20-13(18)15-6-8-19-9-7-15/h1-5H,6-9H2
InChIKey
BCIOODXIPGKJTJ-UHFFFAOYSA-N
Compound name
S-(4-oxopyrido[1,2-a]pyrimidin-9-yl) thiomorpholine-4-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

307.04492 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.05220 163.1
[M+Na]+ 330.03414 171.2
[M-H]- 306.03764 165.7
[M+NH4]+ 325.07874 175.5
[M+K]+ 346.00808 165.2
[M+H-H2O]+ 290.04218 155.2
[M+HCOO]- 352.04312 169.2
[M+CH3COO]- 366.05877 172.6
[M+Na-2H]- 328.01959 165.4
[M]+ 307.04437 162.7
[M]- 307.04547 162.7
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