CID 135434173

2-(5-cyano-4-cyclohexyl-6-hydroxy-pyrimidin-2-yl)sulfanyl-n-(3,5-dichlorophenyl)acetamide

Structural Information

Molecular Formula
C19H18Cl2N4O2S
SMILES
C1CCC(CC1)C2=C(C(=O)NC(=N2)SCC(=O)NC3=CC(=CC(=C3)Cl)Cl)C#N
InChI
InChI=1S/C19H18Cl2N4O2S/c20-12-6-13(21)8-14(7-12)23-16(26)10-28-19-24-17(11-4-2-1-3-5-11)15(9-22)18(27)25-19/h6-8,11H,1-5,10H2,(H,23,26)(H,24,25,27)
InChIKey
XZUDTLRHINCAOX-UHFFFAOYSA-N
Compound name
2-[(5-cyano-4-cyclohexyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.05276 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.06004 200.0
[M+Na]+ 459.04198 209.3
[M-H]- 435.04548 203.3
[M+NH4]+ 454.08658 206.8
[M+K]+ 475.01592 199.8
[M+H-H2O]+ 419.05002 185.8
[M+HCOO]- 481.05096 199.9
[M+CH3COO]- 495.06661 205.6
[M+Na-2H]- 457.02743 197.1
[M]+ 436.05221 195.5
[M]- 436.05331 195.5
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.