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]+ 219.09282 145.1
[M+Na]+ 241.07476 154.9
[M-H]- 217.07826 149.5
[M+NH4]+ 236.11936 162.0
[M+K]+ 257.04870 150.3
[M+H-H2O]+ 201.08280 136.4
[M+HCOO]- 263.08374 168.6
[M+CH3COO]- 277.09939 190.2
[M+Na-2H]- 239.06021 150.8
[M]+ 218.08499 143.1
[M]- 218.08609 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