CID 475023

N-(tert-butyl)[2-(4-{1-[n-(tert-butyl)carbamoyl](2-naphthyl)}-2-hydroxybutyl)phenyl]-n-benzamide

Structural Information

Molecular Formula
C36H42N2O3
SMILES
CC(C)(C)NC(=O)C1=C(C=CC2=CC=CC=C21)CCC(CC3=CC=CC=C3C(=O)N(C4=CC=CC=C4)C(C)(C)C)O
InChI
InChI=1S/C36H42N2O3/c1-35(2,3)37-33(40)32-26(21-20-25-14-10-12-18-30(25)32)22-23-29(39)24-27-15-11-13-19-31(27)34(41)38(36(4,5)6)28-16-8-7-9-17-28/h7-21,29,39H,22-24H2,1-6H3,(H,37,40)
InChIKey
KYJKAVJMMHEXRH-UHFFFAOYSA-N
Compound name
N-tert-butyl-2-[4-[2-[tert-butyl(phenyl)carbamoyl]phenyl]-3-hydroxybutyl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.3195 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.32678 239.2
[M+Na]+ 573.30872 238.9
[M-H]- 549.31222 247.5
[M+NH4]+ 568.35332 243.1
[M+K]+ 589.28266 235.0
[M+H-H2O]+ 533.31676 228.1
[M+HCOO]- 595.31770 252.3
[M+CH3COO]- 609.33335 260.1
[M+Na-2H]- 571.29417 238.3
[M]+ 550.31895 240.3
[M]- 550.32005 240.3
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.