CID 6320549

Chembl178689

Structural Information

Molecular Formula
C20H26N2O3
SMILES
CC1=CC(=CC=C1)C(=O)C2=C(C(=O)NC(=C2CCCOC)C)N(C)C
InChI
InChI=1S/C20H26N2O3/c1-13-8-6-9-15(12-13)19(23)17-16(10-7-11-25-5)14(2)21-20(24)18(17)22(3)4/h6,8-9,12H,7,10-11H2,1-5H3,(H,21,24)
InChIKey
PMPIHATXLWABGN-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-(3-methoxypropyl)-6-methyl-4-(3-methylbenzoyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.19434 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20162 182.7
[M+Na]+ 365.18356 190.1
[M-H]- 341.18706 188.5
[M+NH4]+ 360.22816 195.0
[M+K]+ 381.15750 186.4
[M+H-H2O]+ 325.19160 173.6
[M+HCOO]- 387.19254 203.6
[M+CH3COO]- 401.20819 220.0
[M+Na-2H]- 363.16901 182.1
[M]+ 342.19379 187.3
[M]- 342.19489 187.3
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.