CID 385447

Nsc676685

Structural Information

Molecular Formula
C9H10N2O4S
SMILES
C1=CSC2=C1N(C(=O)NC2=O)COCCO
InChI
InChI=1S/C9H10N2O4S/c12-2-3-15-5-11-6-1-4-16-7(6)8(13)10-9(11)14/h1,4,12H,2-3,5H2,(H,10,13,14)
InChIKey
KQJFJTDJNGEQPT-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)thieno[3,2-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.03613 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.04341 147.0
[M+Na]+ 265.02535 159.0
[M-H]- 241.02885 147.7
[M+NH4]+ 260.06995 164.5
[M+K]+ 280.99929 154.4
[M+H-H2O]+ 225.03339 141.2
[M+HCOO]- 287.03433 164.1
[M+CH3COO]- 301.04998 182.9
[M+Na-2H]- 263.01080 150.8
[M]+ 242.03558 153.1
[M]- 242.03668 153.1
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.