CID 470480

Chembl123838

Structural Information

Molecular Formula
C10H15ClN4OS
SMILES
CCN(CC)C(=O)CSC1=NC(=CC(=N1)Cl)N
InChI
InChI=1S/C10H15ClN4OS/c1-3-15(4-2)9(16)6-17-10-13-7(11)5-8(12)14-10/h5H,3-4,6H2,1-2H3,(H2,12,13,14)
InChIKey
OJDQYFUXUIYXMA-UHFFFAOYSA-N
Compound name
2-(4-amino-6-chloropyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.06552 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.07280 159.0
[M+Na]+ 297.05474 166.9
[M-H]- 273.05824 161.1
[M+NH4]+ 292.09934 174.1
[M+K]+ 313.02868 162.9
[M+H-H2O]+ 257.06278 151.7
[M+HCOO]- 319.06372 171.9
[M+CH3COO]- 333.07937 203.3
[M+Na-2H]- 295.04019 159.8
[M]+ 274.06497 163.7
[M]- 274.06607 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.