CID 486937

2(1h)-pyridinone, 3-amino-4-(3,5-dimethylphenyl)methyl-5-methyl-6-(1-methylethyl)-

Structural Information

Molecular Formula
C18H24N2O
SMILES
CC1=CC(=CC(=C1)CC2=C(C(=O)NC(=C2C)C(C)C)N)C
InChI
InChI=1S/C18H24N2O/c1-10(2)17-13(5)15(16(19)18(21)20-17)9-14-7-11(3)6-12(4)8-14/h6-8,10H,9,19H2,1-5H3,(H,20,21)
InChIKey
BHYHGBKARXNCIA-UHFFFAOYSA-N
Compound name
3-amino-4-[(3,5-dimethylphenyl)methyl]-5-methyl-6-propan-2-yl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.18887 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.19615 169.9
[M+Na]+ 307.17809 179.1
[M-H]- 283.18159 174.6
[M+NH4]+ 302.22269 184.4
[M+K]+ 323.15203 173.5
[M+H-H2O]+ 267.18613 162.2
[M+HCOO]- 329.18707 189.8
[M+CH3COO]- 343.20272 207.9
[M+Na-2H]- 305.16354 169.1
[M]+ 284.18832 169.9
[M]- 284.18942 169.9
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.