CID 135446231

Dihydroxypyrimidine carboxamide, 3

Structural Information

Molecular Formula
C17H19FN4O4
SMILES
CN1CCOCC1C2=NC(=C(C(=O)N2)O)C(=O)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C17H19FN4O4/c1-22-6-7-26-9-12(22)15-20-13(14(23)17(25)21-15)16(24)19-8-10-2-4-11(18)5-3-10/h2-5,12,23H,6-9H2,1H3,(H,19,24)(H,20,21,25)
InChIKey
BGXZYEOFLCTRQZ-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylmorpholin-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

12
Patents

362.13904 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14632 186.5
[M+Na]+ 385.12826 193.0
[M-H]- 361.13176 189.1
[M+NH4]+ 380.17286 191.5
[M+K]+ 401.10220 188.1
[M+H-H2O]+ 345.13630 174.6
[M+HCOO]- 407.13724 198.8
[M+CH3COO]- 421.15289 213.1
[M+Na-2H]- 383.11371 187.3
[M]+ 362.13849 182.1
[M]- 362.13959 182.1
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