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 207.1
[M+Na]+ 483.10972 213.9
[M-H]- 459.11322 221.0
[M+NH4]+ 478.15432 216.9
[M+K]+ 499.08366 209.5
[M+H-H2O]+ 443.11776 195.1
[M+HCOO]- 505.11870 231.8
[M+CH3COO]- 519.13435 245.7
[M+Na-2H]- 481.09517 215.7
[M]+ 460.11995 213.7
[M]- 460.12105 213.7
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