CID 474982

N-(tert-butyl)[4-(4-{1-[n-(tert-butyl)carbamoyl](2-naphthyl)}-2-hydroxybutyl)(3-pyridyl)]carboxamide

Structural Information

Molecular Formula
C29H37N3O3
SMILES
CC(C)(C)NC(=O)C1=C(C=CN=C1)CC(CCC2=C(C3=CC=CC=C3C=C2)C(=O)NC(C)(C)C)O
InChI
InChI=1S/C29H37N3O3/c1-28(2,3)31-26(34)24-18-30-16-15-21(24)17-22(33)14-13-20-12-11-19-9-7-8-10-23(19)25(20)27(35)32-29(4,5)6/h7-12,15-16,18,22,33H,13-14,17H2,1-6H3,(H,31,34)(H,32,35)
InChIKey
NOIRTBKBHQINPU-UHFFFAOYSA-N
Compound name
N-tert-butyl-4-[4-[1-(tert-butylcarbamoyl)naphthalen-2-yl]-2-hydroxybutyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.28348 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.29076 220.9
[M+Na]+ 498.27270 222.8
[M-H]- 474.27620 224.7
[M+NH4]+ 493.31730 226.9
[M+K]+ 514.24664 218.5
[M+H-H2O]+ 458.28074 211.4
[M+HCOO]- 520.28168 233.7
[M+CH3COO]- 534.29733 243.7
[M+Na-2H]- 496.25815 222.0
[M]+ 475.28293 222.0
[M]- 475.28403 222.0
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.