CID 474993

Zinc03833845

Structural Information

Molecular Formula
C35H42N2O3
SMILES
CC(C)(C)NC(=O)C1=C(C=CC2=CC=CC=C21)CCC(CCC3=C(C4=CC=CC=C4C=C3)C(=O)NC(C)(C)C)O
InChI
InChI=1S/C35H42N2O3/c1-34(2,3)36-32(39)30-25(17-15-23-11-7-9-13-28(23)30)19-21-27(38)22-20-26-18-16-24-12-8-10-14-29(24)31(26)33(40)37-35(4,5)6/h7-18,27,38H,19-22H2,1-6H3,(H,36,39)(H,37,40)
InChIKey
MPIRCUUPQNWUKS-UHFFFAOYSA-N
Compound name
N-tert-butyl-2-[5-[1-(tert-butylcarbamoyl)naphthalen-2-yl]-3-hydroxypentyl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.3195 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.32678 238.6
[M+Na]+ 561.30872 240.4
[M-H]- 537.31222 244.0
[M+NH4]+ 556.35332 244.1
[M+K]+ 577.28266 235.2
[M+H-H2O]+ 521.31676 228.5
[M+HCOO]- 583.31770 251.1
[M+CH3COO]- 597.33335 257.1
[M+Na-2H]- 559.29417 239.6
[M]+ 538.31895 241.3
[M]- 538.32005 241.3
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.