CID 474980

N-(tert-butyl)[2-(4-{3-[n-(tert-butyl)carbamoyl](2-naphthyl)}-2-hydroxybutyl)naphthyl]carboxamide

Structural Information

Molecular Formula
C34H40N2O3
SMILES
CC(C)(C)NC(=O)C1=CC2=CC=CC=C2C=C1CCC(CC3=C(C4=CC=CC=C4C=C3)C(=O)NC(C)(C)C)O
InChI
InChI=1S/C34H40N2O3/c1-33(2,3)35-31(38)29-21-24-13-8-7-12-23(24)19-25(29)17-18-27(37)20-26-16-15-22-11-9-10-14-28(22)30(26)32(39)36-34(4,5)6/h7-16,19,21,27,37H,17-18,20H2,1-6H3,(H,35,38)(H,36,39)
InChIKey
DMHWRMAJOSVDJT-UHFFFAOYSA-N
Compound name
N-tert-butyl-2-[4-[3-(tert-butylcarbamoyl)naphthalen-2-yl]-2-hydroxybutyl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

524.3039 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.31118 234.2
[M+Na]+ 547.29312 236.5
[M-H]- 523.29662 239.9
[M+NH4]+ 542.33772 240.4
[M+K]+ 563.26706 231.4
[M+H-H2O]+ 507.30116 224.3
[M+HCOO]- 569.30210 247.1
[M+CH3COO]- 583.31775 254.3
[M+Na-2H]- 545.27857 235.7
[M]+ 524.30335 236.6
[M]- 524.30445 236.6
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

No patent data available for this compound.