CID 103327

2-naphthalenecarboxamide, 1-hydroxy-4-((4-methoxyphenyl)azo)-n-(2-(3-pentadecylphenoxy)butyl)-

Structural Information

Molecular Formula
C43H57N3O4
SMILES
CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)CNC(=O)C2=C(C3=CC=CC=C3C(=C2)N=NC4=CC=C(C=C4)OC)O
InChI
InChI=1S/C43H57N3O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-33-22-20-23-37(30-33)50-35(5-2)32-44-43(48)40-31-41(38-24-18-19-25-39(38)42(40)47)46-45-34-26-28-36(49-3)29-27-34/h18-20,22-31,35,47H,4-17,21,32H2,1-3H3,(H,44,48)
InChIKey
RSXGTKALVHFKSJ-UHFFFAOYSA-N
Compound name
1-hydroxy-4-[(4-methoxyphenyl)diazenyl]-N-[2-(3-pentadecylphenoxy)butyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

679.43494 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 680.44222 277.9
[M+Na]+ 702.42416 274.8
[M-H]- 678.42766 285.4
[M+NH4]+ 697.46876 276.6
[M+K]+ 718.39810 268.7
[M+H-H2O]+ 662.43220 262.3
[M+HCOO]- 724.43314 295.7
[M+CH3COO]- 738.44879 289.8
[M+Na-2H]- 700.40961 272.7
[M]+ 679.43439 286.1
[M]- 679.43549 286.1
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.