CID 135524749

N-[4-[(2,6-difluorophenyl)methyl]-6-oxo-1h-pyrimidin-2-yl]propanamide

Structural Information

Molecular Formula
C14H13F2N3O2
SMILES
CCC(=O)NC1=NC(=CC(=O)N1)CC2=C(C=CC=C2F)F
InChI
InChI=1S/C14H13F2N3O2/c1-2-12(20)18-14-17-8(7-13(21)19-14)6-9-10(15)4-3-5-11(9)16/h3-5,7H,2,6H2,1H3,(H2,17,18,19,20,21)
InChIKey
JECXVMOOORMXRN-UHFFFAOYSA-N
Compound name
N-[4-[(2,6-difluorophenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.0976 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10488 164.3
[M+Na]+ 316.08682 173.7
[M-H]- 292.09032 165.1
[M+NH4]+ 311.13142 176.3
[M+K]+ 332.06076 167.9
[M+H-H2O]+ 276.09486 153.7
[M+HCOO]- 338.09580 183.2
[M+CH3COO]- 352.11145 202.7
[M+Na-2H]- 314.07227 167.1
[M]+ 293.09705 162.0
[M]- 293.09815 162.0
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

No patent data available for this compound.