CID 736618

4-chlorothieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C6H3ClN2S
SMILES
C1=CSC2=C1C(=NC=N2)Cl
InChI
InChI=1S/C6H3ClN2S/c7-5-4-1-2-10-6(4)9-3-8-5/h1-3H
InChIKey
NZCRUBBNZGVREM-UHFFFAOYSA-N
Compound name
4-chlorothieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

604
Patents

169.97055 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.97783 126.6
[M+Na]+ 192.95977 140.3
[M-H]- 168.96327 129.9
[M+NH4]+ 188.00437 149.4
[M+K]+ 208.93371 135.9
[M+H-H2O]+ 152.96781 121.4
[M+HCOO]- 214.96875 142.1
[M+CH3COO]- 228.98440 141.9
[M+Na-2H]- 190.94522 133.3
[M]+ 169.97000 132.1
[M]- 169.97110 132.1
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