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]+ 231.02565 141.9
[M+Na]+ 253.00759 151.7
[M-H]- 229.01109 145.0
[M+NH4]+ 248.05219 157.0
[M+K]+ 268.98153 150.1
[M+H-H2O]+ 213.01563 135.7
[M+HCOO]- 275.01657 150.0
[M+CH3COO]- 289.03222 154.1
[M+Na-2H]- 250.99304 146.6
[M]+ 230.01782 145.9
[M]- 230.01892 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.