CID 2103964

Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

Structural Information

Molecular Formula
C10H9ClN2O2S
SMILES
CCOC(=O)C1=C(C2=C(S1)N=CN=C2Cl)C
InChI
InChI=1S/C10H9ClN2O2S/c1-3-15-10(14)7-5(2)6-8(11)12-4-13-9(6)16-7/h4H,3H2,1-2H3
InChIKey
FIIBPXMYXHXUPI-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

256.00732 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.014596 151.0
[M+Na]+ 278.996538 164.1
[M-H]- 255.000044 154.5
[M+NH4]+ 274.041143 170.5
[M+K]+ 294.970478 159.6
[M+H-H2O]+ 239.004580 145.5
[M+HCOO]- 301.005521 164.6
[M+CH3COO]- 315.021171 191.1
[M+Na-2H]- 276.981986 153.4
[M]+ 256.00677142 160.1
[M]- 256.00786858 160.1
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