CID 486871

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

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CCC1=C(NC(=O)C(=C1C(C2=CC(=CC(=C2)C)C)O)N(C)C)C
InChI
InChI=1S/C19H26N2O2/c1-7-15-13(4)20-19(23)17(21(5)6)16(15)18(22)14-9-11(2)8-12(3)10-14/h8-10,18,22H,7H2,1-6H3,(H,20,23)
InChIKey
JDYDZNBXCUONIK-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-4-[(3,5-dimethylphenyl)-hydroxymethyl]-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.19943 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 176.5
[M+Na]+ 337.18865 184.7
[M-H]- 313.19215 181.5
[M+NH4]+ 332.23325 189.7
[M+K]+ 353.16259 180.5
[M+H-H2O]+ 297.19669 168.5
[M+HCOO]- 359.19763 195.9
[M+CH3COO]- 373.21328 214.6
[M+Na-2H]- 335.17410 175.1
[M]+ 314.19888 178.6
[M]- 314.19998 178.6
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.