CID 711217

4-chloro-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C14H11ClN2S
SMILES
CC1=C(C=C(C=C1)C2=CSC3=C2C(=NC=N3)Cl)C
InChI
InChI=1S/C14H11ClN2S/c1-8-3-4-10(5-9(8)2)11-6-18-14-12(11)13(15)16-7-17-14/h3-7H,1-2H3
InChIKey
YHGOZPYHUNWJBE-UHFFFAOYSA-N
Compound name
4-chloro-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

274.03314 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04042 158.2
[M+Na]+ 297.02236 172.5
[M-H]- 273.02586 164.9
[M+NH4]+ 292.06696 177.2
[M+K]+ 312.99630 165.4
[M+H-H2O]+ 257.03040 151.6
[M+HCOO]- 319.03134 172.5
[M+CH3COO]- 333.04699 172.0
[M+Na-2H]- 295.00781 161.0
[M]+ 274.03259 165.4
[M]- 274.03369 165.4
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