CID 486934

3-(dimethylamino)-5-ethyl-6-methyl-4-(3-methylbenzoyl)-1-(3-methylbut-2-enyl)pyridin-2-one

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CCC1=C(N(C(=O)C(=C1C(=O)C2=CC=CC(=C2)C)N(C)C)CC=C(C)C)C
InChI
InChI=1S/C23H30N2O2/c1-8-19-17(5)25(13-12-15(2)3)23(27)21(24(6)7)20(19)22(26)18-11-9-10-16(4)14-18/h9-12,14H,8,13H2,1-7H3
InChIKey
CBOOOBXEJNMCQX-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-(3-methylbenzoyl)-1-(3-methylbut-2-enyl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.23074 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.23802 189.7
[M+Na]+ 389.21996 197.5
[M-H]- 365.22346 196.9
[M+NH4]+ 384.26456 202.1
[M+K]+ 405.19390 193.4
[M+H-H2O]+ 349.22800 180.7
[M+HCOO]- 411.22894 210.2
[M+CH3COO]- 425.24459 229.9
[M+Na-2H]- 387.20541 186.3
[M]+ 366.23019 194.9
[M]- 366.23129 194.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.