CID 54677580

N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methyl-2-piperidyl)-6-oxo-pyrimidine-4-carboxamide

Structural Information

Molecular Formula
C19H23FN4O3
SMILES
CN1CCCCC1C2=NC(=C(C(=O)N2C)O)C(=O)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C19H23FN4O3/c1-23-10-4-3-5-14(23)17-22-15(16(25)19(27)24(17)2)18(26)21-11-12-6-8-13(20)9-7-12/h6-9,14,25H,3-5,10-11H2,1-2H3,(H,21,26)
InChIKey
HGPPRMHXEAZMCS-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpiperidin-2-yl)-6-oxopyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

21
Patents

374.1754 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18268 191.1
[M+Na]+ 397.16462 197.9
[M-H]- 373.16812 194.3
[M+NH4]+ 392.20922 198.0
[M+K]+ 413.13856 192.0
[M+H-H2O]+ 357.17266 179.0
[M+HCOO]- 419.17360 204.9
[M+CH3COO]- 433.18925 219.9
[M+Na-2H]- 395.15007 190.0
[M]+ 374.17485 187.5
[M]- 374.17595 187.5
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.