CID 487015

Chembl174536

Structural Information

Molecular Formula
C21H30N2O2
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC=CC(=C2)C)N(C)CCOCC)C
InChI
InChI=1S/C21H30N2O2/c1-6-18-16(4)22-21(24)20(23(5)11-12-25-7-2)19(18)14-17-10-8-9-15(3)13-17/h8-10,13H,6-7,11-12,14H2,1-5H3,(H,22,24)
InChIKey
WYAVQIMQXVYOJD-UHFFFAOYSA-N
Compound name
3-[2-ethoxyethyl(methyl)amino]-5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

342.23074 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.23802 185.9
[M+Na]+ 365.21996 193.0
[M-H]- 341.22346 191.4
[M+NH4]+ 360.26456 198.4
[M+K]+ 381.19390 188.5
[M+H-H2O]+ 325.22800 176.6
[M+HCOO]- 387.22894 207.1
[M+CH3COO]- 401.24459 220.6
[M+Na-2H]- 363.20541 185.8
[M]+ 342.23019 190.7
[M]- 342.23129 190.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.