CID 4067058

58536-94-0

Structural Information

Molecular Formula
C15H13FN4O
SMILES
CNC1=NC(=O)C2=C(N1CC3=CC=C(C=C3)F)N=CC=C2
InChI
InChI=1S/C15H13FN4O/c1-17-15-19-14(21)12-3-2-8-18-13(12)20(15)9-10-4-6-11(16)7-5-10/h2-8H,9H2,1H3,(H,17,19,21)
InChIKey
XAYODJPLXQOKKN-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

284.10733 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11461 164.9
[M+Na]+ 307.09655 175.7
[M-H]- 283.10005 167.8
[M+NH4]+ 302.14115 177.5
[M+K]+ 323.07049 169.2
[M+H-H2O]+ 267.10459 153.6
[M+HCOO]- 329.10553 184.8
[M+CH3COO]- 343.12118 176.0
[M+Na-2H]- 305.08200 172.5
[M]+ 284.10678 165.0
[M]- 284.10788 165.0
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