CID 6320550

Chembl175693

Structural Information

Molecular Formula
C21H28N2O3
SMILES
CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=C2CCCOC)C)N(C)C)C
InChI
InChI=1S/C21H28N2O3/c1-13-10-14(2)12-16(11-13)20(24)18-17(8-7-9-26-6)15(3)22-21(25)19(18)23(4)5/h10-12H,7-9H2,1-6H3,(H,22,25)
InChIKey
LGMWFTGQOJHKIC-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-4-(3,5-dimethylbenzoyl)-5-(3-methoxypropyl)-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.21 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.21728 186.8
[M+Na]+ 379.19922 194.6
[M-H]- 355.20272 192.8
[M+NH4]+ 374.24382 198.8
[M+K]+ 395.17316 190.9
[M+H-H2O]+ 339.20726 177.8
[M+HCOO]- 401.20820 207.3
[M+CH3COO]- 415.22385 224.2
[M+Na-2H]- 377.18467 185.0
[M]+ 356.20945 192.2
[M]- 356.21055 192.2
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.