CID 474985

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

Structural Information

Molecular Formula
C36H44N2O4
SMILES
CC(C)(C)NC(=O)C1=C(C=CC2=CC=CC=C21)CCC(CC3=C(C4=CC=CC=C4C=C3)C(=O)N(CCO)C(C)(C)C)O
InChI
InChI=1S/C36H44N2O4/c1-35(2,3)37-33(41)31-26(17-15-24-11-7-9-13-29(24)31)19-20-28(40)23-27-18-16-25-12-8-10-14-30(25)32(27)34(42)38(21-22-39)36(4,5)6/h7-18,28,39-40H,19-23H2,1-6H3,(H,37,41)
InChIKey
UQGKYPADIJNYMA-UHFFFAOYSA-N
Compound name
N-tert-butyl-2-[4-[1-[tert-butyl(2-hydroxyethyl)carbamoyl]naphthalen-2-yl]-3-hydroxybutyl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.3301 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.33738 244.6
[M+Na]+ 591.31932 245.1
[M-H]- 567.32282 249.7
[M+NH4]+ 586.36392 248.6
[M+K]+ 607.29326 241.5
[M+H-H2O]+ 551.32736 234.4
[M+HCOO]- 613.32830 255.8
[M+CH3COO]- 627.34395 262.9
[M+Na-2H]- 589.30477 244.4
[M]+ 568.32955 248.3
[M]- 568.33065 248.3
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.