CID 130051346

4-chloro-2-ethyl-7-methylthieno[3,2-d]pyrimidine

Structural Information

Molecular Formula
C9H9ClN2S
SMILES
CCC1=NC2=C(C(=N1)Cl)SC=C2C
InChI
InChI=1S/C9H9ClN2S/c1-3-6-11-7-5(2)4-13-8(7)9(10)12-6/h4H,3H2,1-2H3
InChIKey
RDWCQBKHSLIARC-UHFFFAOYSA-N
Compound name
4-chloro-2-ethyl-7-methylthieno[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0175 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02478 140.4
[M+Na]+ 235.00672 154.4
[M-H]- 211.01022 143.9
[M+NH4]+ 230.05132 162.1
[M+K]+ 250.98066 149.2
[M+H-H2O]+ 195.01476 135.2
[M+HCOO]- 257.01570 154.8
[M+CH3COO]- 271.03135 155.1
[M+Na-2H]- 232.99217 144.1
[M]+ 212.01695 147.7
[M]- 212.01805 147.7
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.