CID 6480029

Chembl185445

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CC/C=C/C1=CC(=CC=C1)C(=O)C2=C(C(=O)NC(=C2CC)C)N(C)C
InChI
InChI=1S/C21H26N2O2/c1-6-8-10-15-11-9-12-16(13-15)20(24)18-17(7-2)14(3)22-21(25)19(18)23(4)5/h8-13H,6-7H2,1-5H3,(H,22,25)/b10-8+
InChIKey
QFIWFBLSMCIPDC-CSKARUKUSA-N
Compound name
4-[3-[(E)-but-1-enyl]benzoyl]-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.19943 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 182.9
[M+Na]+ 361.18865 190.4
[M-H]- 337.19215 188.6
[M+NH4]+ 356.23325 195.4
[M+K]+ 377.16259 185.2
[M+H-H2O]+ 321.19669 174.0
[M+HCOO]- 383.19763 203.5
[M+CH3COO]- 397.21328 219.4
[M+Na-2H]- 359.17410 181.7
[M]+ 338.19888 185.7
[M]- 338.19998 185.7
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.