CID 58217829

3-amino-1-[(4-fluorophenyl)methyl]-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C12H11FN2O
SMILES
C1=CN(C(=O)C(=C1)N)CC2=CC=C(C=C2)F
InChI
InChI=1S/C12H11FN2O/c13-10-5-3-9(4-6-10)8-15-7-1-2-11(14)12(15)16/h1-7H,8,14H2
InChIKey
XQRIKLYACYCJLH-UHFFFAOYSA-N
Compound name
3-amino-1-[(4-fluorophenyl)methyl]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

218.08554 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.092816 145.1
[M+Na]+ 241.074758 154.9
[M-H]- 217.078264 149.5
[M+NH4]+ 236.119363 162.0
[M+K]+ 257.048698 150.3
[M+H-H2O]+ 201.082800 136.4
[M+HCOO]- 263.083741 168.6
[M+CH3COO]- 277.099391 190.2
[M+Na-2H]- 239.060206 150.8
[M]+ 218.08499142 143.1
[M]- 218.08608858 143.1
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