CID 486874

Chembl188365

Structural Information

Molecular Formula
C23H26N2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3)N(C)C)C
InChI
InChI=1S/C23H26N2O/c1-5-20-16(2)24-23(26)22(25(3)4)21(20)15-17-11-13-19(14-12-17)18-9-7-6-8-10-18/h6-14H,5,15H2,1-4H3,(H,24,26)
InChIKey
HSVJOQAHMYUWGP-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-[(4-phenylphenyl)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.2045 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.21178 186.5
[M+Na]+ 369.19372 194.1
[M-H]- 345.19722 195.2
[M+NH4]+ 364.23832 198.3
[M+K]+ 385.16766 187.8
[M+H-H2O]+ 329.20176 176.1
[M+HCOO]- 391.20270 208.0
[M+CH3COO]- 405.21835 220.4
[M+Na-2H]- 367.17917 187.8
[M]+ 346.20395 187.8
[M]- 346.20505 187.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.