CID 3079333

S-(4-oxo-4h-pyrido(1,2-a)pyrimidin-9-yl) 3-thiazolidinecarbothioate

Structural Information

Molecular Formula
C12H11N3O2S2
SMILES
C1CSCN1C(=O)SC2=CC=CN3C2=NC=CC3=O
InChI
InChI=1S/C12H11N3O2S2/c16-10-3-4-13-11-9(2-1-5-15(10)11)19-12(17)14-6-7-18-8-14/h1-5H,6-8H2
InChIKey
FDIBKUYHBFUUKZ-UHFFFAOYSA-N
Compound name
S-(4-oxopyrido[1,2-a]pyrimidin-9-yl) 1,3-thiazolidine-3-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

293.02927 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.03655 161.3
[M+Na]+ 316.01849 171.4
[M-H]- 292.02199 165.1
[M+NH4]+ 311.06309 176.6
[M+K]+ 331.99243 166.1
[M+H-H2O]+ 276.02653 154.5
[M+HCOO]- 338.02747 170.1
[M+CH3COO]- 352.04312 172.2
[M+Na-2H]- 314.00394 161.8
[M]+ 293.02872 163.3
[M]- 293.02982 163.3
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