CID 116022

63979-96-4

Structural Information

Molecular Formula
C28H26N4O2S
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCSCCOC3=CC=C(C=C3)N=NC4=CC=CC=C4
InChI
InChI=1S/C28H26N4O2S/c1-3-7-23(8-4-1)29-31-25-11-15-27(16-12-25)33-19-21-35-22-20-34-28-17-13-26(14-18-28)32-30-24-9-5-2-6-10-24/h1-18H,19-22H2
InChIKey
WCVJRTNKZUMYMY-UHFFFAOYSA-N
Compound name
phenyl-[4-[2-[2-(4-phenyldiazenylphenoxy)ethylsulfanyl]ethoxy]phenyl]diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.17764 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.184916 215.7
[M+Na]+ 505.166858 219.5
[M-H]- 481.170364 231.4
[M+NH4]+ 500.211463 223.6
[M+K]+ 521.140798 213.6
[M+H-H2O]+ 465.174900 201.5
[M+HCOO]- 527.175841 242.9
[M+CH3COO]- 541.191491 251.4
[M+Na-2H]- 503.152306 221.7
[M]+ 482.17709142 222.0
[M]- 482.17818858 222.0
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.