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

literature stripe

Patent stripe

patents stripe