CID 6480028

Chembl182725

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)/C=C/C)N(C)C)C
InChI
InChI=1S/C20H24N2O2/c1-6-9-14-10-8-11-15(12-14)19(23)17-16(7-2)13(3)21-20(24)18(17)22(4)5/h6,8-12H,7H2,1-5H3,(H,21,24)/b9-6+
InChIKey
NNTCLQDJRXDWOH-RMKNXTFCSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-prop-1-enyl]benzoyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.18378 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 178.3
[M+Na]+ 347.17300 186.3
[M-H]- 323.17650 184.2
[M+NH4]+ 342.21760 191.4
[M+K]+ 363.14694 181.3
[M+H-H2O]+ 307.18104 169.6
[M+HCOO]- 369.18198 199.3
[M+CH3COO]- 383.19763 216.4
[M+Na-2H]- 345.15845 177.7
[M]+ 324.18323 180.7
[M]- 324.18433 180.7
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.