CID 12724228

2,4-dichloro-5-phenylthieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C12H6Cl2N2S
SMILES
C1=CC=C(C=C1)C2=CSC3=C2C(=NC(=N3)Cl)Cl
InChI
InChI=1S/C12H6Cl2N2S/c13-10-9-8(7-4-2-1-3-5-7)6-17-11(9)16-12(14)15-10/h1-6H
InChIKey
BEWMVQBIACDTCL-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-phenylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

279.96286 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.97014 155.2
[M+Na]+ 302.95208 169.5
[M-H]- 278.95558 161.0
[M+NH4]+ 297.99668 173.9
[M+K]+ 318.92602 162.1
[M+H-H2O]+ 262.96012 149.0
[M+HCOO]- 324.96106 164.9
[M+CH3COO]- 338.97671 168.6
[M+Na-2H]- 300.93753 158.9
[M]+ 279.96231 162.2
[M]- 279.96341 162.2
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