CID 2463154

4-chloro-5,6-dimethyl-2-(thiophen-2-yl)thieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C12H9ClN2S2
SMILES
CC1=C(SC2=C1C(=NC(=N2)C3=CC=CS3)Cl)C
InChI
InChI=1S/C12H9ClN2S2/c1-6-7(2)17-12-9(6)10(13)14-11(15-12)8-4-3-5-16-8/h3-5H,1-2H3
InChIKey
NUZLMCLJEKQBSD-UHFFFAOYSA-N
Compound name
4-chloro-5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.98956 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.99684 158.3
[M+Na]+ 302.97878 174.1
[M-H]- 278.98228 165.9
[M+NH4]+ 298.02338 179.6
[M+K]+ 318.95272 167.6
[M+H-H2O]+ 262.98682 154.0
[M+HCOO]- 324.98776 169.0
[M+CH3COO]- 339.00341 172.6
[M+Na-2H]- 300.96423 157.2
[M]+ 279.98901 167.0
[M]- 279.99011 167.0
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

No patent data available for this compound.