CID 71748388

Methyl 4-chlorothieno[3,2-d]pyrimidine-2-carboxylate

Structural Information

Molecular Formula
C8H5ClN2O2S
SMILES
COC(=O)C1=NC2=C(C(=N1)Cl)SC=C2
InChI
InChI=1S/C8H5ClN2O2S/c1-13-8(12)7-10-4-2-3-14-5(4)6(9)11-7/h2-3H,1H3
InChIKey
FVJHQTIEVGKCCG-UHFFFAOYSA-N
Compound name
methyl 4-chlorothieno[3,2-d]pyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.97603 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.98331 143.7
[M+Na]+ 250.96525 158.1
[M+NH4]+ 246.00985 152.5
[M+K]+ 266.93919 151.3
[M-H]- 226.96875 144.8
[M+Na-2H]- 248.95070 149.6
[M]+ 227.97548 146.8
[M]- 227.97658 146.8
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.