CID 73806

1563-01-5

Structural Information

Molecular Formula
C16H19N3O5S
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=CC(=C2)S(=O)(=O)O)O)O
InChI
InChI=1S/C16H19N3O5S/c1-3-19(4-2)11-5-7-13(16(21)9-11)17-18-14-10-12(25(22,23)24)6-8-15(14)20/h5-10,20-21H,3-4H2,1-2H3,(H,22,23,24)
InChIKey
DSZXUTUBVLAYLI-UHFFFAOYSA-N
Compound name
3-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-4-hydroxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

43
Patents

365.10455 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.11183 182.9
[M+Na]+ 388.09377 192.1
[M+NH4]+ 383.13837 187.6
[M+K]+ 404.06771 186.5
[M-H]- 364.09727 185.7
[M+Na-2H]- 386.07922 188.7
[M]+ 365.10400 185.1
[M]- 365.10510 185.1
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

patents stripe