CID 486961

3-[2-benzyloxyethyl(methyl)amino]-5-ethyl-6-methyl-4-(m-tolylmethyl)-1h-pyridin-2-one

Structural Information

Molecular Formula
C26H32N2O2
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC=CC(=C2)C)N(C)CCOCC3=CC=CC=C3)C
InChI
InChI=1S/C26H32N2O2/c1-5-23-20(3)27-26(29)25(24(23)17-22-13-9-10-19(2)16-22)28(4)14-15-30-18-21-11-7-6-8-12-21/h6-13,16H,5,14-15,17-18H2,1-4H3,(H,27,29)
InChIKey
KOVNVYYTPTWZHW-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-3-[methyl(2-phenylmethoxyethyl)amino]-4-[(3-methylphenyl)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.24637 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.25365 203.5
[M+Na]+ 427.23559 209.4
[M-H]- 403.23909 211.5
[M+NH4]+ 422.28019 212.6
[M+K]+ 443.20953 203.2
[M+H-H2O]+ 387.24363 192.0
[M+HCOO]- 449.24457 224.0
[M+CH3COO]- 463.26022 231.3
[M+Na-2H]- 425.22104 203.1
[M]+ 404.24582 207.0
[M]- 404.24692 207.0
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.