CID 486855

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

Structural Information

Molecular Formula
C17H22N2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=C(C=C(C=C2)C)C)N)C
InChI
InChI=1S/C17H22N2O/c1-5-14-12(4)19-17(20)16(18)15(14)9-13-7-6-10(2)8-11(13)3/h6-8H,5,9,18H2,1-4H3,(H,19,20)
InChIKey
CTXLMRCEPNWAJD-UHFFFAOYSA-N
Compound name
3-amino-4-[(2,4-dimethylphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.17322 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.18050 165.6
[M+Na]+ 293.16244 175.6
[M-H]- 269.16594 170.4
[M+NH4]+ 288.20704 180.7
[M+K]+ 309.13638 169.6
[M+H-H2O]+ 253.17048 158.0
[M+HCOO]- 315.17142 186.9
[M+CH3COO]- 329.18707 204.0
[M+Na-2H]- 291.14789 166.5
[M]+ 270.17267 165.9
[M]- 270.17377 165.9
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.