CID 486850

Chembl366811

Structural Information

Molecular Formula
C31H34N2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC(=C2)C)C)N(CC3=CC=CC=C3)CC4=CC=CC=C4)C
InChI
InChI=1S/C31H34N2O/c1-5-28-24(4)32-31(34)30(29(28)19-27-17-22(2)16-23(3)18-27)33(20-25-12-8-6-9-13-25)21-26-14-10-7-11-15-26/h6-18H,5,19-21H2,1-4H3,(H,32,34)
InChIKey
RRIWJWKQNKLHJR-UHFFFAOYSA-N
Compound name
3-(dibenzylamino)-4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

450.26712 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.27440 217.8
[M+Na]+ 473.25634 223.6
[M-H]- 449.25984 228.5
[M+NH4]+ 468.30094 224.5
[M+K]+ 489.23028 215.3
[M+H-H2O]+ 433.26438 204.8
[M+HCOO]- 495.26532 237.3
[M+CH3COO]- 509.28097 225.5
[M+Na-2H]- 471.24179 216.2
[M]+ 450.26657 219.0
[M]- 450.26767 219.0
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.