CID 135434807

Zinc03648155

Structural Information

Molecular Formula
C14H15F2N3O
SMILES
CCCNC1=NC(=CC(=O)N1)CC2=C(C=CC=C2F)F
InChI
InChI=1S/C14H15F2N3O/c1-2-6-17-14-18-9(8-13(20)19-14)7-10-11(15)4-3-5-12(10)16/h3-5,8H,2,6-7H2,1H3,(H2,17,18,19,20)
InChIKey
QYIDYGADJMYQQN-UHFFFAOYSA-N
Compound name
4-[(2,6-difluorophenyl)methyl]-2-(propylamino)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.11832 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12560 162.1
[M+Na]+ 302.10754 171.5
[M-H]- 278.11104 162.7
[M+NH4]+ 297.15214 174.8
[M+K]+ 318.08148 165.1
[M+H-H2O]+ 262.11558 151.4
[M+HCOO]- 324.11652 181.5
[M+CH3COO]- 338.13217 201.1
[M+Na-2H]- 300.09299 166.0
[M]+ 279.11777 159.7
[M]- 279.11887 159.7
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

No patent data available for this compound.