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

44
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

literature stripe

Patent stripe

patents stripe