CID 135434813

2-(cyclohexylamino)-4-[(2,6-difluorophenyl)methyl]-1h-pyrimidin-6-one

Structural Information

Molecular Formula
C17H19F2N3O
SMILES
C1CCC(CC1)NC2=NC(=CC(=O)N2)CC3=C(C=CC=C3F)F
InChI
InChI=1S/C17H19F2N3O/c18-14-7-4-8-15(19)13(14)9-12-10-16(23)22-17(21-12)20-11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2,(H2,20,21,22,23)
InChIKey
NCLPVLMFVANILT-UHFFFAOYSA-N
Compound name
2-(cyclohexylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.14963 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.15691 174.2
[M+Na]+ 342.13885 180.5
[M-H]- 318.14235 176.7
[M+NH4]+ 337.18345 184.4
[M+K]+ 358.11279 173.2
[M+H-H2O]+ 302.14689 161.9
[M+HCOO]- 364.14783 189.5
[M+CH3COO]- 378.16348 182.6
[M+Na-2H]- 340.12430 175.9
[M]+ 319.14908 166.0
[M]- 319.15018 166.0
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.