CID 3720661

Methyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

Structural Information

Molecular Formula
C10H9ClN2O2S
SMILES
CC1=C(SC2=C1C(=NC(=N2)C)Cl)C(=O)OC
InChI
InChI=1S/C10H9ClN2O2S/c1-4-6-8(11)12-5(2)13-9(6)16-7(4)10(14)15-3/h1-3H3
InChIKey
ZKRIVQOOENDMQL-UHFFFAOYSA-N
Compound name
methyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

256.00732 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.014596 150.7
[M+Na]+ 278.996538 164.6
[M-H]- 255.000044 154.6
[M+NH4]+ 274.041143 170.6
[M+K]+ 294.970478 160.2
[M+H-H2O]+ 239.004580 145.6
[M+HCOO]- 301.005521 164.3
[M+CH3COO]- 315.021171 192.3
[M+Na-2H]- 276.981986 152.5
[M]+ 256.00677142 160.3
[M]- 256.00786858 160.3
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

patents stripe