CID 3012800

Chembl182477

Structural Information

Molecular Formula
C21H22N2O3
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)C3=CC=CO3)N(C)C)C
InChI
InChI=1S/C21H22N2O3/c1-5-16-13(2)22-21(25)19(23(3)4)18(16)20(24)15-9-6-8-14(12-15)17-10-7-11-26-17/h6-12H,5H2,1-4H3,(H,22,25)
InChIKey
LJLYXPGAZNAKEV-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-4-[3-(furan-2-yl)benzoyl]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.16306 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17034 184.7
[M+Na]+ 373.15228 192.8
[M-H]- 349.15578 194.9
[M+NH4]+ 368.19688 196.7
[M+K]+ 389.12622 189.4
[M+H-H2O]+ 333.16032 175.6
[M+HCOO]- 395.16126 206.5
[M+CH3COO]- 409.17691 218.9
[M+Na-2H]- 371.13773 184.0
[M]+ 350.16251 188.4
[M]- 350.16361 188.4
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.