CID 475016

N-(tert-butyl)[7-(4-{1-[n-(tert-butyl)carbamoyl](2-naphthyl)}-2-hydroxybutyl)(8-1,2,3,4-tetrahydroisoquinolyl)]-n-methylcarboxamide

Structural Information

Molecular Formula
C34H45N3O3
SMILES
CC(C)(C)NC(=O)C1=C(C=CC2=CC=CC=C21)CCC(CC3=C(C4=C(CCNC4)C=C3)C(=O)N(C)C(C)(C)C)O
InChI
InChI=1S/C34H45N3O3/c1-33(2,3)36-31(39)29-24(14-12-22-10-8-9-11-27(22)29)16-17-26(38)20-25-15-13-23-18-19-35-21-28(23)30(25)32(40)37(7)34(4,5)6/h8-15,26,35,38H,16-21H2,1-7H3,(H,36,39)
InChIKey
QGNGBWMKNZRWBZ-UHFFFAOYSA-N
Compound name
N-tert-butyl-7-[4-[1-(tert-butylcarbamoyl)naphthalen-2-yl]-2-hydroxybutyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.34607 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.35335 236.6
[M+Na]+ 566.33529 235.7
[M-H]- 542.33879 239.7
[M+NH4]+ 561.37989 240.3
[M+K]+ 582.30923 231.5
[M+H-H2O]+ 526.34333 226.8
[M+HCOO]- 588.34427 243.1
[M+CH3COO]- 602.35992 259.0
[M+Na-2H]- 564.32074 235.2
[M]+ 543.34552 234.9
[M]- 543.34662 234.9
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.