CID 82963

12167-45-2

Structural Information

Molecular Formula
C20H19N3O8S2
SMILES
CC1=C(C=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)NC(=O)C)O)C
InChI
InChI=1S/C20H19N3O8S2/c1-10-4-5-14(6-11(10)2)22-23-19-17(33(29,30)31)8-13-7-15(32(26,27)28)9-16(21-12(3)24)18(13)20(19)25/h4-9,25H,1-3H3,(H,21,24)(H,26,27,28)(H,29,30,31)
InChIKey
GJVINRIDBXGDGS-UHFFFAOYSA-N
Compound name
5-acetamido-3-[(3,4-dimethylphenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

493.06137 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.06865 209.4
[M+Na]+ 516.05059 217.3
[M+NH4]+ 511.09519 211.7
[M+K]+ 532.02453 211.9
[M-H]- 492.05409 210.0
[M+Na-2H]- 514.03604 213.1
[M]+ 493.06082 211.2
[M]- 493.06192 211.2
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

No patent data available for this compound.