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]+ 213.024776 140.3
[M+Na]+ 235.006718 155.1
[M-H]- 211.010224 144.1
[M+NH4]+ 230.051323 162.2
[M+K]+ 250.980658 149.9
[M+H-H2O]+ 195.014760 135.3
[M+HCOO]- 257.015701 154.6
[M+CH3COO]- 271.031351 155.3
[M+Na-2H]- 232.992166 143.3
[M]+ 212.01695142 148.0
[M]- 212.01804858 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