CID 6454293

Benzenesulfonic acid, ((ethyl(4-((4-(phenylazo)phenyl)azo)phenyl)amino)methyl)-, sodium salt

Structural Information

Molecular Formula
C27H25N5O3S
SMILES
CCN(CC1=CC=CC=C1S(=O)(=O)O)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)N=NC4=CC=CC=C4
InChI
InChI=1S/C27H25N5O3S/c1-2-32(20-21-8-6-7-11-27(21)36(33,34)35)26-18-16-25(17-19-26)31-30-24-14-12-23(13-15-24)29-28-22-9-4-3-5-10-22/h3-19H,2,20H2,1H3,(H,33,34,35)
InChIKey
ZANPXYOZKRDYBB-UHFFFAOYSA-N
Compound name
2-[[N-ethyl-4-[(4-phenyldiazenylphenyl)diazenyl]anilino]methyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.16782 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.17510 218.3
[M+Na]+ 522.15704 231.3
[M+NH4]+ 517.20164 224.7
[M+K]+ 538.13098 220.4
[M-H]- 498.16054 229.4
[M+Na-2H]- 520.14249 232.3
[M]+ 499.16727 223.7
[M]- 499.16837 223.7
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

No patent data available for this compound.