CID 474987

N-(tert-butyl){2-[3-hydroxy-4-(2-isoquinolylphenyl)butyl]naphthyl}carboxamide

Structural Information

Molecular Formula
C34H34N2O2
SMILES
CC(C)(C)NC(=O)C1=C(C=CC2=CC=CC=C21)CCC(CC3=CC=CC=C3C4=NC=CC5=CC=CC=C54)O
InChI
InChI=1S/C34H34N2O2/c1-34(2,3)36-33(38)31-25(17-16-23-10-4-7-13-28(23)31)18-19-27(37)22-26-12-6-9-15-30(26)32-29-14-8-5-11-24(29)20-21-35-32/h4-17,20-21,27,37H,18-19,22H2,1-3H3,(H,36,38)
InChIKey
JNKAGGJDZDEWOP-UHFFFAOYSA-N
Compound name
N-tert-butyl-2-[3-hydroxy-4-(2-isoquinolin-1-ylphenyl)butyl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.26202 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.26930 229.2
[M+Na]+ 525.25124 233.2
[M-H]- 501.25474 236.6
[M+NH4]+ 520.29584 234.4
[M+K]+ 541.22518 225.3
[M+H-H2O]+ 485.25928 216.6
[M+HCOO]- 547.26022 242.9
[M+CH3COO]- 561.27587 234.6
[M+Na-2H]- 523.23669 232.0
[M]+ 502.26147 230.1
[M]- 502.26257 230.1
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.