CID 2435347

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

Structural Information

Molecular Formula
C11H10Cl2N2O2S
SMILES
CCOC(=O)C1=C(C2=C(S1)N=C(N=C2Cl)CCl)C
InChI
InChI=1S/C11H10Cl2N2O2S/c1-3-17-11(16)8-5(2)7-9(13)14-6(4-12)15-10(7)18-8/h3-4H2,1-2H3
InChIKey
HEOJTPYNBOSOJO-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-2-(chloromethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.984 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.99128 164.6
[M+Na]+ 326.97322 179.5
[M+NH4]+ 322.01782 172.9
[M+K]+ 342.94716 171.6
[M-H]- 302.97672 165.5
[M+Na-2H]- 324.95867 169.1
[M]+ 303.98345 168.1
[M]- 303.98455 168.1
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.