CID 19736307

3,5-bis(1,1-dimethylethyl)-4-hydroxy-n-octadecylbenzenepropanamide

Structural Information

Molecular Formula
C35H63NO2
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C35H63NO2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-36-32(37)25-24-29-27-30(34(2,3)4)33(38)31(28-29)35(5,6)7/h27-28,38H,8-26H2,1-7H3,(H,36,37)
InChIKey
HQSOHEURLMFXBX-UHFFFAOYSA-N
Compound name
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-octadecylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

529.4859 Da
Monoisotopic Mass

13.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.49318 248.5
[M+Na]+ 552.47512 247.1
[M-H]- 528.47862 247.3
[M+NH4]+ 547.51972 235.6
[M+K]+ 568.44906 240.5
[M+H-H2O]+ 512.48316 239.8
[M+HCOO]- 574.48410 248.5
[M+CH3COO]- 588.49975 257.3
[M+Na-2H]- 550.46057 241.7
[M]+ 529.48535 256.6
[M]- 529.48645 256.6
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

patents stripe