CID 79976

5863-95-6

Structural Information

Molecular Formula
C24H25N3O8S2
SMILES
CC(=O)N(C1CCCCC1)C2=CC=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O)O
InChI
InChI=1S/C24H25N3O8S2/c1-15(28)27(18-5-3-2-4-6-18)19-10-8-17(9-11-19)25-26-24-21(29)12-7-16-13-20(36(30,31)32)14-22(23(16)24)37(33,34)35/h7-14,18,29H,2-6H2,1H3,(H,30,31,32)(H,33,34,35)
InChIKey
BKZAXHGPUGPHDB-UHFFFAOYSA-N
Compound name
8-[[4-[acetyl(cyclohexyl)amino]phenyl]diazenyl]-7-hydroxynaphthalene-1,3-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

547.10834 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.11562 212.8
[M+Na]+ 570.09756 219.6
[M+NH4]+ 565.14216 215.7
[M+K]+ 586.07150 214.3
[M-H]- 546.10106 215.7
[M+Na-2H]- 568.08301 219.1
[M]+ 547.10779 215.0
[M]- 547.10889 215.0
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

No patent data available for this compound.