CID 113191

Erionyl yellow 4r

Structural Information

Molecular Formula
C20H18N4O5S
SMILES
COC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)O)OC
InChI
InChI=1S/C20H18N4O5S/c1-28-17-9-6-14(7-10-17)21-24-19-11-8-16(13-20(19)29-2)23-22-15-4-3-5-18(12-15)30(25,26)27/h3-13H,1-2H3,(H,25,26,27)
InChIKey
PKKUAIYTMVVNQU-UHFFFAOYSA-N
Compound name
3-[[3-methoxy-4-[(4-methoxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

426.0998 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.10708 198.1
[M+Na]+ 449.08902 205.2
[M-H]- 425.09252 211.9
[M+NH4]+ 444.13362 208.5
[M+K]+ 465.06296 202.3
[M+H-H2O]+ 409.09706 186.5
[M+HCOO]- 471.09800 224.7
[M+CH3COO]- 485.11365 238.5
[M+Na-2H]- 447.07447 205.2
[M]+ 426.09925 206.0
[M]- 426.10035 206.0
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

patents stripe