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]+ 257.01460 150.7
[M+Na]+ 278.99654 164.6
[M-H]- 255.00004 154.6
[M+NH4]+ 274.04114 170.6
[M+K]+ 294.97048 160.2
[M+H-H2O]+ 239.00458 145.6
[M+HCOO]- 301.00552 164.3
[M+CH3COO]- 315.02117 192.3
[M+Na-2H]- 276.98199 152.5
[M]+ 256.00677 160.3
[M]- 256.00787 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