CID 73806

Benzenesulfonic acid, 3-[2-[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-4-hydroxy-

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 181.4
[M+Na]+ 388.09377 187.8
[M-H]- 364.09727 188.5
[M+NH4]+ 383.13837 193.2
[M+K]+ 404.06771 184.8
[M+H-H2O]+ 348.10181 172.7
[M+HCOO]- 410.10275 201.5
[M+CH3COO]- 424.11840 220.9
[M+Na-2H]- 386.07922 184.9
[M]+ 365.10400 186.3
[M]- 365.10510 186.3
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