CID 486897

3-amino-4-[(3,5-dimethylphenyl)methyl]-6-isopentyl-1h-pyridin-2-one

Structural Information

Molecular Formula
C19H26N2O
SMILES
CC1=CC(=CC(=C1)CC2=C(C(=O)NC(=C2)CCC(C)C)N)C
InChI
InChI=1S/C19H26N2O/c1-12(2)5-6-17-11-16(18(20)19(22)21-17)10-15-8-13(3)7-14(4)9-15/h7-9,11-12H,5-6,10,20H2,1-4H3,(H,21,22)
InChIKey
KFFMDADJRIPKJS-UHFFFAOYSA-N
Compound name
3-amino-4-[(3,5-dimethylphenyl)methyl]-6-(3-methylbutyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2045 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.21178 174.7
[M+Na]+ 321.19372 182.5
[M-H]- 297.19722 178.7
[M+NH4]+ 316.23832 188.2
[M+K]+ 337.16766 176.6
[M+H-H2O]+ 281.20176 166.5
[M+HCOO]- 343.20270 194.3
[M+CH3COO]- 357.21835 209.6
[M+Na-2H]- 319.17917 174.1
[M]+ 298.20395 174.6
[M]- 298.20505 174.6
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.