CID 135434829

2-(cyclohexylamino)-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1h-pyrimidin-6-one

Structural Information

Molecular Formula
C19H23F2N3O
SMILES
CC1=C(N=C(NC1=O)NC2CCCCC2)C(C)C3=C(C=CC=C3F)F
InChI
InChI=1S/C19H23F2N3O/c1-11(16-14(20)9-6-10-15(16)21)17-12(2)18(25)24-19(23-17)22-13-7-4-3-5-8-13/h6,9-11,13H,3-5,7-8H2,1-2H3,(H2,22,23,24,25)
InChIKey
ZCEWEZJTIZMBQV-UHFFFAOYSA-N
Compound name
2-(cyclohexylamino)-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.1809 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.18818 183.6
[M+Na]+ 370.17012 189.7
[M-H]- 346.17362 186.3
[M+NH4]+ 365.21472 192.9
[M+K]+ 386.14406 182.6
[M+H-H2O]+ 330.17816 171.4
[M+HCOO]- 392.17910 197.2
[M+CH3COO]- 406.19475 215.3
[M+Na-2H]- 368.15557 182.4
[M]+ 347.18035 176.0
[M]- 347.18145 176.0
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.