CID 486969

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

Structural Information

Molecular Formula
C19H27N3O
SMILES
CCC1=C(N(C(=O)C(=C1CC2=CC(=CC(=C2)C)C)N(C)C)N)C
InChI
InChI=1S/C19H27N3O/c1-7-16-14(4)22(20)19(23)18(21(5)6)17(16)11-15-9-12(2)8-13(3)10-15/h8-10H,7,11,20H2,1-6H3
InChIKey
BFWXJOATKWRCNI-UHFFFAOYSA-N
Compound name
1-amino-3-(dimethylamino)-4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.21542 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.22270 178.5
[M+Na]+ 336.20464 188.1
[M-H]- 312.20814 186.0
[M+NH4]+ 331.24924 193.1
[M+K]+ 352.17858 184.0
[M+H-H2O]+ 296.21268 169.8
[M+HCOO]- 358.21362 202.0
[M+CH3COO]- 372.22927 222.1
[M+Na-2H]- 334.19009 177.7
[M]+ 313.21487 182.2
[M]- 313.21597 182.2
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.