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

0
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]+ 241.056076 149.5
[M+Na]+ 263.038018 162.2
[M-H]- 239.041524 152.7
[M+NH4]+ 258.082623 169.9
[M+K]+ 279.011958 157.0
[M+H-H2O]+ 223.046060 143.9
[M+HCOO]- 285.047001 162.1
[M+CH3COO]- 299.062651 163.1
[M+Na-2H]- 261.023466 151.1
[M]+ 240.04825142 156.9
[M]- 240.04934858 156.9
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.