CID 481004

3-amino-4-benzyl-5-ethyl-6-methyl-1h-pyridin-2-one

Structural Information

Molecular Formula
C15H18N2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC=CC=C2)N)C
InChI
InChI=1S/C15H18N2O/c1-3-12-10(2)17-15(18)14(16)13(12)9-11-7-5-4-6-8-11/h4-8H,3,9,16H2,1-2H3,(H,17,18)
InChIKey
ASIVSGOTALFQJY-UHFFFAOYSA-N
Compound name
3-amino-4-benzyl-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.1419 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.149176 156.5
[M+Na]+ 265.131118 165.5
[M-H]- 241.134624 160.9
[M+NH4]+ 260.175723 172.2
[M+K]+ 281.105058 159.8
[M+H-H2O]+ 225.139160 148.8
[M+HCOO]- 287.140101 178.6
[M+CH3COO]- 301.155751 195.4
[M+Na-2H]- 263.116566 160.1
[M]+ 242.14135142 155.3
[M]- 242.14244858 155.3
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.