CID 474983

N-(tert-butyl)[2-(4-{1-[n-(tert-butyl)carbamoyl](2-naphthyl)}-2-hydroxybutyl)phenyl]-n-(imidazol-2-ylmethyl)carboxamide

Structural Information

Molecular Formula
C34H42N4O3
SMILES
CC(C)(C)NC(=O)C1=C(C=CC2=CC=CC=C21)CCC(CC3=CC=CC=C3C(=O)N(CC4=NC=CN4)C(C)(C)C)O
InChI
InChI=1S/C34H42N4O3/c1-33(2,3)37-31(40)30-24(16-15-23-11-7-9-13-27(23)30)17-18-26(39)21-25-12-8-10-14-28(25)32(41)38(34(4,5)6)22-29-35-19-20-36-29/h7-16,19-20,26,39H,17-18,21-22H2,1-6H3,(H,35,36)(H,37,40)
InChIKey
RJFRZDICXFSSSZ-UHFFFAOYSA-N
Compound name
N-tert-butyl-2-[4-[2-[tert-butyl(1H-imidazol-2-ylmethyl)carbamoyl]phenyl]-3-hydroxybutyl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

554.3257 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.33298 239.4
[M+Na]+ 577.31492 240.1
[M-H]- 553.31842 245.5
[M+NH4]+ 572.35952 242.0
[M+K]+ 593.28886 235.3
[M+H-H2O]+ 537.32296 228.8
[M+HCOO]- 599.32390 251.5
[M+CH3COO]- 613.33955 256.7
[M+Na-2H]- 575.30037 238.5
[M]+ 554.32515 241.5
[M]- 554.32625 241.5
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

patents stripe