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]+ 483.18492 215.7
[M+Na]+ 505.16686 219.5
[M-H]- 481.17036 231.4
[M+NH4]+ 500.21146 223.6
[M+K]+ 521.14080 213.6
[M+H-H2O]+ 465.17490 201.5
[M+HCOO]- 527.17584 242.9
[M+CH3COO]- 541.19149 251.4
[M+Na-2H]- 503.15231 221.7
[M]+ 482.17709 222.0
[M]- 482.17819 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.