CID 170913

50814-28-3

Structural Information

Molecular Formula
C26H19N5O3S
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)N=NC4=CC=C(C=C4)N=NC5=CC=C(C=C5)S(=O)(=O)O
InChI
InChI=1S/C26H19N5O3S/c32-35(33,34)22-16-14-21(15-17-22)29-28-19-10-12-20(13-11-19)30-31-26-23-8-4-5-9-24(23)27-25(26)18-6-2-1-3-7-18/h1-17,27H,(H,32,33,34)
InChIKey
RFPIRGPQJAHOGC-UHFFFAOYSA-N
Compound name
4-[[4-[(2-phenyl-1H-indol-3-yl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.12085 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.12813 211.5
[M+Na]+ 504.11007 219.8
[M-H]- 480.11357 227.0
[M+NH4]+ 499.15467 220.3
[M+K]+ 520.08401 213.1
[M+H-H2O]+ 464.11811 200.1
[M+HCOO]- 526.11905 236.2
[M+CH3COO]- 540.13470 221.2
[M+Na-2H]- 502.09552 219.8
[M]+ 481.12030 216.2
[M]- 481.12140 216.2
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.