CID 2060013

4-chloro-2,5,6-trimethylthieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C9H9ClN2S
SMILES
CC1=C(SC2=C1C(=NC(=N2)C)Cl)C
InChI
InChI=1S/C9H9ClN2S/c1-4-5(2)13-9-7(4)8(10)11-6(3)12-9/h1-3H3
InChIKey
HDOQGBZKVBVNLU-UHFFFAOYSA-N
Compound name
4-chloro-2,5,6-trimethylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

212.0175 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02478 140.3
[M+Na]+ 235.00672 155.1
[M-H]- 211.01022 144.1
[M+NH4]+ 230.05132 162.2
[M+K]+ 250.98066 149.9
[M+H-H2O]+ 195.01476 135.3
[M+HCOO]- 257.01570 154.6
[M+CH3COO]- 271.03135 155.3
[M+Na-2H]- 232.99217 143.3
[M]+ 212.01695 148.0
[M]- 212.01805 148.0
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