CID 19117

Acid red 33

Structural Information

Molecular Formula
C16H13N3O7S2
SMILES
C1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N)O
InChI
InChI=1S/C16H13N3O7S2/c17-12-8-11(27(21,22)23)6-9-7-13(28(24,25)26)15(16(20)14(9)12)19-18-10-4-2-1-3-5-10/h1-8,20H,17H2,(H,21,22,23)(H,24,25,26)
InChIKey
UDCKXEFJOHLCKM-UHFFFAOYSA-N
Compound name
5-amino-4-hydroxy-3-phenyldiazenylnaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

13709
Patents

423.0195 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.02678 189.8
[M+Na]+ 446.00872 197.0
[M-H]- 422.01222 194.7
[M+NH4]+ 441.05332 198.7
[M+K]+ 461.98266 191.6
[M+H-H2O]+ 406.01676 181.9
[M+HCOO]- 468.01770 201.7
[M+CH3COO]- 482.03335 224.9
[M+Na-2H]- 443.99417 198.0
[M]+ 423.01895 193.2
[M]- 423.02005 193.2
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