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]+ 339.206706 182.9
[M+Na]+ 361.188648 190.4
[M-H]- 337.192154 188.6
[M+NH4]+ 356.233253 195.4
[M+K]+ 377.162588 185.2
[M+H-H2O]+ 321.196690 174.0
[M+HCOO]- 383.197631 203.5
[M+CH3COO]- 397.213281 219.4
[M+Na-2H]- 359.174096 181.7
[M]+ 338.19888142 185.7
[M]- 338.19997858 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.