CID 3048674

Tris(beta-(p-phenylazophenoxy)ethyl)amine

Structural Information

Molecular Formula
C42H39N7O3
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCN(CCOC3=CC=C(C=C3)N=NC4=CC=CC=C4)CCOC5=CC=C(C=C5)N=NC6=CC=CC=C6
InChI
InChI=1S/C42H39N7O3/c1-4-10-34(11-5-1)43-46-37-16-22-40(23-17-37)50-31-28-49(29-32-51-41-24-18-38(19-25-41)47-44-35-12-6-2-7-13-35)30-33-52-42-26-20-39(21-27-42)48-45-36-14-8-3-9-15-36/h1-27H,28-33H2
InChIKey
JVFMFBSNARRPCQ-UHFFFAOYSA-N
Compound name
2-(4-phenyldiazenylphenoxy)-N,N-bis[2-(4-phenyldiazenylphenoxy)ethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

689.31146 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 690.31874 275.9
[M+Na]+ 712.30068 290.7
[M+NH4]+ 707.34528 281.6
[M+K]+ 728.27462 276.3
[M-H]- 688.30418 293.4
[M+Na-2H]- 710.28613 293.0
[M]+ 689.31091 283.0
[M]- 689.31201 283.0
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.