CID 2757627

4-chloro-6-isopropylthieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C9H9ClN2S
SMILES
CC(C)C1=CC2=C(S1)N=CN=C2Cl
InChI
InChI=1S/C9H9ClN2S/c1-5(2)7-3-6-8(10)11-4-12-9(6)13-7/h3-5H,1-2H3
InChIKey
HOXIDKJKRREVOH-UHFFFAOYSA-N
Compound name
4-chloro-6-propan-2-ylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

55
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 140.5
[M+Na]+ 235.006718 153.3
[M-H]- 211.010224 143.7
[M+NH4]+ 230.051323 161.7
[M+K]+ 250.980658 148.5
[M+H-H2O]+ 195.014760 135.0
[M+HCOO]- 257.015701 153.8
[M+CH3COO]- 271.031351 154.7
[M+Na-2H]- 232.992166 143.8
[M]+ 212.01695142 146.8
[M]- 212.01804858 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe