CID 2427243

742094-64-0

Structural Information

Molecular Formula
C13H10ClN3S
SMILES
CC1=C(SC2=C1C(=NC(=N2)C3=CN=CC=C3)Cl)C
InChI
InChI=1S/C13H10ClN3S/c1-7-8(2)18-13-10(7)11(14)16-12(17-13)9-4-3-5-15-6-9/h3-6H,1-2H3
InChIKey
OKMOUSJGXYXWHP-UHFFFAOYSA-N
Compound name
4-chloro-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

275.02838 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.03566 158.0
[M+Na]+ 298.01760 172.7
[M-H]- 274.02110 163.4
[M+NH4]+ 293.06220 175.6
[M+K]+ 313.99154 165.7
[M+H-H2O]+ 258.02564 150.7
[M+HCOO]- 320.02658 171.2
[M+CH3COO]- 334.04223 171.5
[M+Na-2H]- 296.00305 161.1
[M]+ 275.02783 165.2
[M]- 275.02893 165.2
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