CID 490026

Thiazolo[4,5-d]pyrimidin-7(6h)-one, 2,3-dihydro-3,6-dimethyl-2-thioxo-

Structural Information

Molecular Formula
C7H7N3OS2
SMILES
CN1C=NC2=C(C1=O)SC(=S)N2C
InChI
InChI=1S/C7H7N3OS2/c1-9-3-8-5-4(6(9)11)13-7(12)10(5)2/h3H,1-2H3
InChIKey
JRCBNZWUQNLQKE-UHFFFAOYSA-N
Compound name
3,6-dimethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

213.00305 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.01033 138.2
[M+Na]+ 235.99227 154.1
[M-H]- 211.99577 141.0
[M+NH4]+ 231.03687 158.1
[M+K]+ 251.96621 148.6
[M+H-H2O]+ 196.00031 133.1
[M+HCOO]- 258.00125 151.6
[M+CH3COO]- 272.01690 152.7
[M+Na-2H]- 233.97772 140.2
[M]+ 213.00250 144.9
[M]- 213.00360 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.