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 258.4
[M+Na]+ 632.34582 259.6
[M-H]- 608.34932 268.2
[M+NH4]+ 627.39042 260.8
[M+K]+ 648.31976 255.6
[M+H-H2O]+ 592.35386 245.2
[M+HCOO]- 654.35480 275.8
[M+CH3COO]- 668.37045 277.8
[M+Na-2H]- 630.33127 258.6
[M]+ 609.35605 265.4
[M]- 609.35715 265.4
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.