CID 118969

36409-70-8

Structural Information

Molecular Formula
C24H20N4O7S2
SMILES
CCOC1=CC=C(C=C1)N=NC2=C3C=CC(=CC3=C(C=C2)N=NC4=CC=C(C=C4)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C24H20N4O7S2/c1-2-35-18-7-3-16(4-8-18)25-27-23-13-14-24(22-15-20(37(32,33)34)11-12-21(22)23)28-26-17-5-9-19(10-6-17)36(29,30)31/h3-15H,2H2,1H3,(H,29,30,31)(H,32,33,34)
InChIKey
WNHAIBNKSTUZAS-UHFFFAOYSA-N
Compound name
5-[(4-ethoxyphenyl)diazenyl]-8-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

540.07733 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.084606 222.6
[M+Na]+ 563.066548 228.4
[M-H]- 539.070054 234.0
[M+NH4]+ 558.111153 228.1
[M+K]+ 579.040488 223.8
[M+H-H2O]+ 523.074590 211.4
[M+HCOO]- 585.075531 239.3
[M+CH3COO]- 599.091181 254.2
[M+Na-2H]- 561.051996 233.0
[M]+ 540.07678142 230.4
[M]- 540.07787858 230.4
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.