CID 3084861

42481-10-7

Structural Information

Molecular Formula
C38H47N3O4
SMILES
CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)N=NC4=CC=C(C=C4)OC)O)C(C)(C)CC
InChI
InChI=1S/C38H47N3O4/c1-8-37(3,4)26-16-21-34(32(24-26)38(5,6)9-2)45-23-13-12-22-39-36(43)31-25-33(29-14-10-11-15-30(29)35(31)42)41-40-27-17-19-28(44-7)20-18-27/h10-11,14-21,24-25,42H,8-9,12-13,22-23H2,1-7H3,(H,39,43)
InChIKey
PYRLOKVHIZZMEG-UHFFFAOYSA-N
Compound name
N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-[(4-methoxyphenyl)diazenyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

609.3566 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 610.36388 259.5
[M+Na]+ 632.34582 270.9
[M+NH4]+ 627.39042 263.6
[M+K]+ 648.31976 262.0
[M-H]- 608.34932 266.4
[M+Na-2H]- 630.33127 266.2
[M]+ 609.35605 263.2
[M]- 609.35715 263.2
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.