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]+ 314.222696 178.5
[M+Na]+ 336.204638 188.1
[M-H]- 312.208144 186.0
[M+NH4]+ 331.249243 193.1
[M+K]+ 352.178578 184.0
[M+H-H2O]+ 296.212680 169.8
[M+HCOO]- 358.213621 202.0
[M+CH3COO]- 372.229271 222.1
[M+Na-2H]- 334.190086 177.7
[M]+ 313.21487142 182.2
[M]- 313.21596858 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.