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

literature stripe

Patent stripe

patents stripe