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]+ 361.227426 191.5
[M+Na]+ 383.209368 199.5
[M-H]- 359.212874 199.0
[M+NH4]+ 378.253973 202.4
[M+K]+ 399.183308 191.7
[M+H-H2O]+ 343.217410 181.3
[M+HCOO]- 405.218351 212.2
[M+CH3COO]- 419.234001 221.4
[M+Na-2H]- 381.194816 192.2
[M]+ 360.21960142 192.4
[M]- 360.22069858 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.