CID 135446276

Dihydroxypyrimidine, 10

Structural Information

Molecular Formula
C21H21FN4O3
SMILES
CN(C)C(C1=CC=CC=C1)C2=NC(=C(C(=O)N2)O)C(=O)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C21H21FN4O3/c1-26(2)17(14-6-4-3-5-7-14)19-24-16(18(27)21(29)25-19)20(28)23-12-13-8-10-15(22)11-9-13/h3-11,17,27H,12H2,1-2H3,(H,23,28)(H,24,25,29)
InChIKey
RUBHAOAJRSDKHD-UHFFFAOYSA-N
Compound name
2-[dimethylamino(phenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

396.15976 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16704 193.4
[M+Na]+ 419.14898 198.9
[M-H]- 395.15248 198.1
[M+NH4]+ 414.19358 199.8
[M+K]+ 435.12292 193.6
[M+H-H2O]+ 379.15702 181.4
[M+HCOO]- 441.15796 211.3
[M+CH3COO]- 455.17361 226.4
[M+Na-2H]- 417.13443 194.3
[M]+ 396.15921 191.5
[M]- 396.16031 191.5
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.