CID 6480046

Chembl187742

Structural Information

Molecular Formula
C23H24N2O3
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)/C=C/C3=COC=C3)N(C)C)C
InChI
InChI=1S/C23H24N2O3/c1-5-19-15(2)24-23(27)21(25(3)4)20(19)22(26)18-8-6-7-16(13-18)9-10-17-11-12-28-14-17/h6-14H,5H2,1-4H3,(H,24,27)/b10-9+
InChIKey
WCJFOOGMQOWFEM-MDZDMXLPSA-N
Compound name
3-(dimethylamino)-5-ethyl-4-[3-[(E)-2-(furan-3-yl)ethenyl]benzoyl]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.17868 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.18596 193.1
[M+Na]+ 399.16790 200.8
[M-H]- 375.17140 203.0
[M+NH4]+ 394.21250 204.0
[M+K]+ 415.14184 196.3
[M+H-H2O]+ 359.17594 183.8
[M+HCOO]- 421.17688 214.4
[M+CH3COO]- 435.19253 223.4
[M+Na-2H]- 397.15335 191.3
[M]+ 376.17813 196.8
[M]- 376.17923 196.8
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.