CID 155973240

2,4-bis(methylsulfanyl)-6h,7h-[1,4]dioxino[2,3-d]pyrimidine

Structural Information

Molecular Formula
C8H10N2O2S2
SMILES
CSC1=NC(=NC2=C1OCCO2)SC
InChI
InChI=1S/C8H10N2O2S2/c1-13-7-5-6(12-4-3-11-5)9-8(10-7)14-2/h3-4H2,1-2H3
InChIKey
RVQGNJUXHMUKAJ-UHFFFAOYSA-N
Compound name
2,4-bis(methylsulfanyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.01837 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.025646 141.9
[M+Na]+ 253.007588 151.7
[M-H]- 229.011094 145.0
[M+NH4]+ 248.052193 157.0
[M+K]+ 268.981528 150.1
[M+H-H2O]+ 213.015630 135.7
[M+HCOO]- 275.016571 150.0
[M+CH3COO]- 289.032221 154.1
[M+Na-2H]- 250.993036 146.6
[M]+ 230.01782142 145.9
[M]- 230.01891858 145.9
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

No patent data available for this compound.