CID 486924

3-amino-5-ethyl-6-methyl-4-[(3-propylphenyl)methyl]-1h-pyridin-2-one

Structural Information

Molecular Formula
C18H24N2O
SMILES
CCCC1=CC(=CC=C1)CC2=C(C(=O)NC(=C2CC)C)N
InChI
InChI=1S/C18H24N2O/c1-4-7-13-8-6-9-14(10-13)11-16-15(5-2)12(3)20-18(21)17(16)19/h6,8-10H,4-5,7,11,19H2,1-3H3,(H,20,21)
InChIKey
ATLOTUJIFMFZSK-UHFFFAOYSA-N
Compound name
3-amino-5-ethyl-6-methyl-4-[(3-propylphenyl)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.18887 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.19615 170.2
[M+Na]+ 307.17809 178.7
[M-H]- 283.18159 174.3
[M+NH4]+ 302.22269 184.4
[M+K]+ 323.15203 172.4
[M+H-H2O]+ 267.18613 162.0
[M+HCOO]- 329.18707 191.1
[M+CH3COO]- 343.20272 205.7
[M+Na-2H]- 305.16354 171.3
[M]+ 284.18832 170.4
[M]- 284.18942 170.4
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

No patent data available for this compound.