CID 486870

Chembl174340

Structural Information

Molecular Formula
C21H30N2O
SMILES
CCCN(C)C1=C(C(=C(NC1=O)C)CC)CC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C21H30N2O/c1-7-9-23(6)20-19(18(8-2)16(5)22-21(20)24)13-17-11-14(3)10-15(4)12-17/h10-12H,7-9,13H2,1-6H3,(H,22,24)
InChIKey
OHNWUOJIEMWYKF-UHFFFAOYSA-N
Compound name
4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-3-[methyl(propyl)amino]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

326.2358 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.24308 182.1
[M+Na]+ 349.22502 190.4
[M-H]- 325.22852 188.0
[M+NH4]+ 344.26962 195.8
[M+K]+ 365.19896 185.2
[M+H-H2O]+ 309.23306 173.4
[M+HCOO]- 371.23400 203.1
[M+CH3COO]- 385.24965 219.8
[M+Na-2H]- 347.21047 181.3
[M]+ 326.23525 186.0
[M]- 326.23635 186.0
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.