CID 16776194

1-[(4-aminophenyl)methyl]-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C12H12N2O
SMILES
C1=CC(=O)N(C=C1)CC2=CC=C(C=C2)N
InChI
InChI=1S/C12H12N2O/c13-11-6-4-10(5-7-11)9-14-8-2-1-3-12(14)15/h1-8H,9,13H2
InChIKey
QBPISWMTLKTKMK-UHFFFAOYSA-N
Compound name
1-[(4-aminophenyl)methyl]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

320
Patents

200.09496 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.102236 142.1
[M+Na]+ 223.084178 151.0
[M-H]- 199.087684 147.5
[M+NH4]+ 218.128783 159.5
[M+K]+ 239.058118 146.8
[M+H-H2O]+ 183.092220 134.3
[M+HCOO]- 245.093161 166.7
[M+CH3COO]- 259.108811 186.4
[M+Na-2H]- 221.069626 149.3
[M]+ 200.09441142 140.8
[M]- 200.09550858 140.8
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