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]+ 241.05608 149.5
[M+Na]+ 263.03802 162.2
[M-H]- 239.04152 152.7
[M+NH4]+ 258.08262 169.9
[M+K]+ 279.01196 157.0
[M+H-H2O]+ 223.04606 143.9
[M+HCOO]- 285.04700 162.1
[M+CH3COO]- 299.06265 163.1
[M+Na-2H]- 261.02347 151.1
[M]+ 240.04825 156.9
[M]- 240.04935 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.