CID 100839

58764-34-4

Structural Information

Molecular Formula
C26H25N5O5S
SMILES
C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC(=CC=C3)S(=O)(=O)O)N=NC4=CC=C(C=C4)N(CCO)CCO
InChI
InChI=1S/C26H25N5O5S/c32-16-14-31(15-17-33)21-10-8-19(9-11-21)27-29-25-12-13-26(24-7-2-1-6-23(24)25)30-28-20-4-3-5-22(18-20)37(34,35)36/h1-13,18,32-33H,14-17H2,(H,34,35,36)
InChIKey
FKHADEPATJCRGQ-UHFFFAOYSA-N
Compound name
3-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]naphthalen-1-yl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

519.15765 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.16493 219.2
[M+Na]+ 542.14687 229.7
[M+NH4]+ 537.19147 224.1
[M+K]+ 558.12081 221.0
[M-H]- 518.15037 226.9
[M+Na-2H]- 540.13232 229.1
[M]+ 519.15710 223.1
[M]- 519.15820 223.1
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.