CID 153415

72765-52-7

Structural Information

Molecular Formula
C24H20N4O4S
SMILES
CCOC1=CC=C(C=C1)N=NC2=CC=C(C3=CC=CC=C32)N=NC4=CC(=CC=C4)S(=O)(=O)O
InChI
InChI=1S/C24H20N4O4S/c1-2-32-19-12-10-17(11-13-19)25-27-23-14-15-24(22-9-4-3-8-21(22)23)28-26-18-6-5-7-20(16-18)33(29,30)31/h3-16H,2H2,1H3,(H,29,30,31)
InChIKey
CDRDTGZOEUQSFA-UHFFFAOYSA-N
Compound name
3-[[4-[(4-ethoxyphenyl)diazenyl]naphthalen-1-yl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

55
Patents

460.1205 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.12778 206.7
[M+Na]+ 483.10972 220.4
[M+NH4]+ 478.15432 213.5
[M+K]+ 499.08366 209.9
[M-H]- 459.11322 215.5
[M+Na-2H]- 481.09517 218.4
[M]+ 460.11995 211.6
[M]- 460.12105 211.6
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

patents stripe