CID 2735821

4-chlorothieno[3,2-d]pyrimidine

Structural Information

Molecular Formula
C6H3ClN2S
SMILES
C1=CSC2=C1N=CN=C2Cl
InChI
InChI=1S/C6H3ClN2S/c7-6-5-4(1-2-10-5)8-3-9-6/h1-3H
InChIKey
TWTODSLDHCDLDR-UHFFFAOYSA-N
Compound name
4-chlorothieno[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

639
Patents

169.97055 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.97783 128.0
[M+Na]+ 192.95977 143.8
[M+NH4]+ 188.00437 138.7
[M+K]+ 208.93371 135.5
[M-H]- 168.96327 130.6
[M+Na-2H]- 190.94522 136.0
[M]+ 169.97000 131.9
[M]- 169.97110 131.9
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