CID 731240

17417-67-3

Structural Information

Molecular Formula
C10H10N2O3S
SMILES
CCOC(=O)C1=C(C2=C(S1)N=CNC2=O)C
InChI
InChI=1S/C10H10N2O3S/c1-3-15-10(14)7-5(2)6-8(13)11-4-12-9(6)16-7/h4H,3H2,1-2H3,(H,11,12,13)
InChIKey
ZPNFLBDMBNUQAI-UHFFFAOYSA-N
Compound name
ethyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

16
Patents

238.04121 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04849 148.4
[M+Na]+ 261.03043 160.5
[M-H]- 237.03393 150.6
[M+NH4]+ 256.07503 167.0
[M+K]+ 277.00437 156.6
[M+H-H2O]+ 221.03847 142.6
[M+HCOO]- 283.03941 165.6
[M+CH3COO]- 297.05506 186.3
[M+Na-2H]- 259.01588 151.0
[M]+ 238.04066 154.7
[M]- 238.04176 154.7
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

patents stripe