CID 474979

[2-((2r)-4-{4-(tert-butyl)-6-[n-(tert-butyl)carbamoyl]cyclohexa-1(6),2-dienyl}-2-hydroxybutyl)naphthyl]-n-(tert-butyl)carboxamide

Structural Information

Molecular Formula
C34H48N2O3
SMILES
CC(C)(C)C1CC(=C(C=C1)CC[C@H](CC2=C(C3=CC=CC=C3C=C2)C(=O)NC(C)(C)C)O)C(=O)NC(C)(C)C
InChI
InChI=1S/C34H48N2O3/c1-32(2,3)25-18-16-23(28(21-25)30(38)35-33(4,5)6)17-19-26(37)20-24-15-14-22-12-10-11-13-27(22)29(24)31(39)36-34(7,8)9/h10-16,18,25-26,37H,17,19-21H2,1-9H3,(H,35,38)(H,36,39)/t25?,26-/m1/s1
InChIKey
DWECJLXLSVCDFG-FXDYGKIASA-N
Compound name
N-tert-butyl-2-[(2R)-4-[4-tert-butyl-2-(tert-butylcarbamoyl)cyclohexa-1,5-dien-1-yl]-2-hydroxybutyl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.3665 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.37378 235.4
[M+Na]+ 555.35572 235.4
[M-H]- 531.35922 239.6
[M+NH4]+ 550.40032 240.8
[M+K]+ 571.32966 231.8
[M+H-H2O]+ 515.36376 227.1
[M+HCOO]- 577.36470 244.8
[M+CH3COO]- 591.38035 257.1
[M+Na-2H]- 553.34117 233.9
[M]+ 532.36595 236.2
[M]- 532.36705 236.2
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.