CID 4961605

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

Structural Information

Molecular Formula
C11H13ClN2S
SMILES
CC1=NC2=C(C(=CS2)CC(C)C)C(=N1)Cl
InChI
InChI=1S/C11H13ClN2S/c1-6(2)4-8-5-15-11-9(8)10(12)13-7(3)14-11/h5-6H,4H2,1-3H3
InChIKey
ZCQYWAMMEQOPIM-UHFFFAOYSA-N
Compound name
4-chloro-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

240.0488 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.05608 151.4
[M+Na]+ 263.03802 166.4
[M+NH4]+ 258.08262 161.1
[M+K]+ 279.01196 158.2
[M-H]- 239.04152 153.7
[M+Na-2H]- 261.02347 157.2
[M]+ 240.04825 155.1
[M]- 240.04935 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.