CID 166475

75627-17-7

Structural Information

Molecular Formula
C24H20N4O4S
SMILES
CC1=CC(=C(C=C1)OC)N=NC2=CC=C(C3=CC=CC=C32)N=NC4=CC(=CC=C4)S(=O)(=O)O
InChI
InChI=1S/C24H20N4O4S/c1-16-10-13-24(32-2)23(14-16)28-27-22-12-11-21(19-8-3-4-9-20(19)22)26-25-17-6-5-7-18(15-17)33(29,30)31/h3-15H,1-2H3,(H,29,30,31)
InChIKey
PUPIANJHUUPLNQ-UHFFFAOYSA-N
Compound name
3-[[4-[(2-methoxy-5-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
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 207.5
[M+Na]+ 483.10972 221.6
[M+NH4]+ 478.15432 214.3
[M+K]+ 499.08366 211.2
[M-H]- 459.11322 216.4
[M+Na-2H]- 481.09517 218.9
[M]+ 460.11995 212.5
[M]- 460.12105 212.5
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.