CID 486848

1(2h)-pyridineacetic acid, 3-(dimethylamino)-4-(3,5-dimethylphenyl)methyl-5-ethyl-6-methyl-2-oxo-, ethyl ester

Structural Information

Molecular Formula
C23H32N2O3
SMILES
CCC1=C(N(C(=O)C(=C1CC2=CC(=CC(=C2)C)C)N(C)C)CC(=O)OCC)C
InChI
InChI=1S/C23H32N2O3/c1-8-19-17(5)25(14-21(26)28-9-2)23(27)22(24(6)7)20(19)13-18-11-15(3)10-16(4)12-18/h10-12H,8-9,13-14H2,1-7H3
InChIKey
HWQVYWRTRSFUJD-UHFFFAOYSA-N
Compound name
ethyl 2-[5-(dimethylamino)-4-[(3,5-dimethylphenyl)methyl]-3-ethyl-2-methyl-6-oxopyridin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2413 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.24858 194.9
[M+Na]+ 407.23052 203.3
[M-H]- 383.23402 202.3
[M+NH4]+ 402.27512 206.8
[M+K]+ 423.20446 200.0
[M+H-H2O]+ 367.23856 185.5
[M+HCOO]- 429.23950 216.2
[M+CH3COO]- 443.25515 233.2
[M+Na-2H]- 405.21597 191.9
[M]+ 384.24075 203.2
[M]- 384.24185 203.2
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.