CID 486853

Chembl177491

Structural Information

Molecular Formula
C24H28N2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC(=C2)C)C)NCC3=CC=CC=C3)C
InChI
InChI=1S/C24H28N2O/c1-5-21-18(4)26-24(27)23(25-15-19-9-7-6-8-10-19)22(21)14-20-12-16(2)11-17(3)13-20/h6-13,25H,5,14-15H2,1-4H3,(H,26,27)
InChIKey
OUTMVTIDSCIPPK-UHFFFAOYSA-N
Compound name
3-(benzylamino)-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

360.22015 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.22743 191.5
[M+Na]+ 383.20937 199.5
[M-H]- 359.21287 199.0
[M+NH4]+ 378.25397 202.4
[M+K]+ 399.18331 191.7
[M+H-H2O]+ 343.21741 181.3
[M+HCOO]- 405.21835 212.2
[M+CH3COO]- 419.23400 221.4
[M+Na-2H]- 381.19482 192.2
[M]+ 360.21960 192.4
[M]- 360.22070 192.4
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.