CID 153112

Reactive red 66

Structural Information

Molecular Formula
C20H17BrN4O8S2
SMILES
CNC1=C(C2=C(C=C(C=C2C=C1)S(=O)(=O)O)O)N=NC3=C(C=C(C=C3)NC(=O)C(=C)Br)S(=O)(=O)O
InChI
InChI=1S/C20H17BrN4O8S2/c1-10(21)20(27)23-12-4-6-14(17(8-12)35(31,32)33)24-25-19-15(22-2)5-3-11-7-13(34(28,29)30)9-16(26)18(11)19/h3-9,22,26H,1H2,2H3,(H,23,27)(H,28,29,30)(H,31,32,33)
InChIKey
OSPMFGOZOJIBBW-UHFFFAOYSA-N
Compound name
5-[[4-(2-bromoprop-2-enoylamino)-2-sulfophenyl]diazenyl]-4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

198
Patents

583.9671 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.97438 191.4
[M+Na]+ 606.95632 189.3
[M+NH4]+ 602.00092 190.4
[M+K]+ 622.93026 191.7
[M-H]- 582.95982 190.6
[M+Na-2H]- 604.94177 193.6
[M]+ 583.96655 190.0
[M]- 583.96765 190.0
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