CID 3804136

3-(3,5-di-tert-butyl-4-hydroxyphenyl)-n-propylpropanamide

Structural Information

Molecular Formula
C20H33NO2
SMILES
CCCNC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C20H33NO2/c1-8-11-21-17(22)10-9-14-12-15(19(2,3)4)18(23)16(13-14)20(5,6)7/h12-13,23H,8-11H2,1-7H3,(H,21,22)
InChIKey
OIKLSPRMYLRBPV-UHFFFAOYSA-N
Compound name
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-propylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

46
Patents

319.25113 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.258406 181.9
[M+Na]+ 342.240348 187.1
[M-H]- 318.243854 184.0
[M+NH4]+ 337.284953 196.5
[M+K]+ 358.214288 183.9
[M+H-H2O]+ 302.248390 176.2
[M+HCOO]- 364.249331 198.9
[M+CH3COO]- 378.264981 213.3
[M+Na-2H]- 340.225796 182.7
[M]+ 319.25058142 184.7
[M]- 319.25167858 184.7
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

patents stripe