CID 54677477

N-methylpyrimidone, 17

Structural Information

Molecular Formula
C18H21FN4O4
SMILES
CN1CCOCC1C2=NC(=C(C(=O)N2C)O)C(=O)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C18H21FN4O4/c1-22-7-8-27-10-13(22)16-21-14(15(24)18(26)23(16)2)17(25)20-9-11-3-5-12(19)6-4-11/h3-6,13,24H,7-10H2,1-2H3,(H,20,25)
InChIKey
MMPZNODECHHWIW-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

26
Patents

376.1547 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.16198 191.6
[M+Na]+ 399.14392 199.0
[M-H]- 375.14742 195.7
[M+NH4]+ 394.18852 197.1
[M+K]+ 415.11786 194.7
[M+H-H2O]+ 359.15196 179.4
[M+HCOO]- 421.15290 205.0
[M+CH3COO]- 435.16855 219.5
[M+Na-2H]- 397.12937 191.4
[M]+ 376.15415 189.7
[M]- 376.15525 189.7
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.