CID 5072574

58536-95-1

Structural Information

Molecular Formula
C16H15FN4O
SMILES
CN(C)C1=NC(=O)C2=C(N1CC3=CC=C(C=C3)F)N=CC=C2
InChI
InChI=1S/C16H15FN4O/c1-20(2)16-19-15(22)13-4-3-9-18-14(13)21(16)10-11-5-7-12(17)8-6-11/h3-9H,10H2,1-2H3
InChIKey
DFYCWKAPROXTHP-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1-[(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

298.123 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13028 169.3
[M+Na]+ 321.11222 179.6
[M-H]- 297.11572 173.4
[M+NH4]+ 316.15682 181.9
[M+K]+ 337.08616 174.3
[M+H-H2O]+ 281.12026 157.6
[M+HCOO]- 343.12120 189.3
[M+CH3COO]- 357.13685 180.5
[M+Na-2H]- 319.09767 175.6
[M]+ 298.12245 170.9
[M]- 298.12355 170.9
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

patents stripe