CID 474986

N-tert-butyl-2-[4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-butyl]naphthalene-1-carboxamide

Structural Information

Molecular Formula
C30H38N2O3
SMILES
CC(C)(C)NC(=O)C1=CC=CC=C1CC(CCC2=C(C3=CC=CC=C3C=C2)C(=O)NC(C)(C)C)O
InChI
InChI=1S/C30H38N2O3/c1-29(2,3)31-27(34)25-14-10-8-12-22(25)19-23(33)18-17-21-16-15-20-11-7-9-13-24(20)26(21)28(35)32-30(4,5)6/h7-16,23,33H,17-19H2,1-6H3,(H,31,34)(H,32,35)
InChIKey
MAJUAXYJVDUESU-UHFFFAOYSA-N
Compound name
N-tert-butyl-2-[4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxybutyl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.28824 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.29552 220.7
[M+Na]+ 497.27746 222.2
[M-H]- 473.28096 225.5
[M+NH4]+ 492.32206 228.1
[M+K]+ 513.25140 217.9
[M+H-H2O]+ 457.28550 211.9
[M+HCOO]- 519.28644 234.4
[M+CH3COO]- 533.30209 244.0
[M+Na-2H]- 495.26291 220.9
[M]+ 474.28769 221.6
[M]- 474.28879 221.6
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.