CID 481019

Chembl338224

Structural Information

Molecular Formula
C24H34N2O3
SMILES
CCC1=C(N=C(C(=C1C(C)(C2=CC(=CC(=C2)C)C)O)NC(=O)C(C)(C)C)OC)C
InChI
InChI=1S/C24H34N2O3/c1-10-18-16(4)25-21(29-9)20(26-22(27)23(5,6)7)19(18)24(8,28)17-12-14(2)11-15(3)13-17/h11-13,28H,10H2,1-9H3,(H,26,27)
InChIKey
SPNJGNNPWDQKEI-UHFFFAOYSA-N
Compound name
N-[4-[1-(3,5-dimethylphenyl)-1-hydroxyethyl]-5-ethyl-2-methoxy-6-methylpyridin-3-yl]-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.25696 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.26424 200.9
[M+Na]+ 421.24618 207.8
[M-H]- 397.24968 205.6
[M+NH4]+ 416.29078 210.9
[M+K]+ 437.22012 204.1
[M+H-H2O]+ 381.25422 193.0
[M+HCOO]- 443.25516 216.5
[M+CH3COO]- 457.27081 230.3
[M+Na-2H]- 419.23163 200.6
[M]+ 398.25641 205.6
[M]- 398.25751 205.6
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.