CID 474976

N-tert-butyl-2-[4-[2-[tert-butyl(2-hydroxyethyl)carbamoyl]phenyl]-2-hydroxy-butyl]naphthalene-1-carboxamide

Structural Information

Molecular Formula
C32H42N2O4
SMILES
CC(C)(C)NC(=O)C1=C(C=CC2=CC=CC=C21)CC(CCC3=CC=CC=C3C(=O)N(CCO)C(C)(C)C)O
InChI
InChI=1S/C32H42N2O4/c1-31(2,3)33-29(37)28-24(16-15-22-11-7-9-13-26(22)28)21-25(36)18-17-23-12-8-10-14-27(23)30(38)34(19-20-35)32(4,5)6/h7-16,25,35-36H,17-21H2,1-6H3,(H,33,37)
InChIKey
BWGDBPIUGIHQDY-UHFFFAOYSA-N
Compound name
N-tert-butyl-2-[4-[2-[tert-butyl(2-hydroxyethyl)carbamoyl]phenyl]-2-hydroxybutyl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.31445 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.32173 231.2
[M+Na]+ 541.30367 231.2
[M-H]- 517.30717 235.6
[M+NH4]+ 536.34827 236.5
[M+K]+ 557.27761 228.2
[M+H-H2O]+ 501.31171 222.1
[M+HCOO]- 563.31265 243.4
[M+CH3COO]- 577.32830 252.8
[M+Na-2H]- 539.28912 229.7
[M]+ 518.31390 233.6
[M]- 518.31500 233.6
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.