CID 481000

Chembl127724

Structural Information

Molecular Formula
C23H32N2O2
SMILES
CCC1=C(N=C(C(=C1CC2=CC(=CC(=C2)C)C)NC(=O)C(C)(C)C)OC)C
InChI
InChI=1S/C23H32N2O2/c1-9-18-16(4)24-21(27-8)20(25-22(26)23(5,6)7)19(18)13-17-11-14(2)10-15(3)12-17/h10-12H,9,13H2,1-8H3,(H,25,26)
InChIKey
SPXOYLTWMNEOCK-UHFFFAOYSA-N
Compound name
N-[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-2-methoxy-6-methylpyridin-3-yl]-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

368.24637 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.25365 194.1
[M+Na]+ 391.23559 201.8
[M-H]- 367.23909 200.1
[M+NH4]+ 386.28019 206.1
[M+K]+ 407.20953 197.6
[M+H-H2O]+ 351.24363 185.5
[M+HCOO]- 413.24457 213.0
[M+CH3COO]- 427.26022 227.0
[M+Na-2H]- 389.22104 193.3
[M]+ 368.24582 199.4
[M]- 368.24692 199.4
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

patents stripe