CID 80698

25317-34-4

Structural Information

Molecular Formula
C18H16N4O8S2
SMILES
CC(=O)NC1=CC(=C(C=C1)N=NC2=C(C=CC3=CC(=CC(=C32)O)S(=O)(=O)O)N)S(=O)(=O)O
InChI
InChI=1S/C18H16N4O8S2/c1-9(23)20-11-3-5-14(16(7-11)32(28,29)30)21-22-18-13(19)4-2-10-6-12(31(25,26)27)8-15(24)17(10)18/h2-8,24H,19H2,1H3,(H,20,23)(H,25,26,27)(H,28,29,30)
InChIKey
IJPUPVHRAZCFRI-UHFFFAOYSA-N
Compound name
5-[(4-acetamido-2-sulfophenyl)diazenyl]-6-amino-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

480.04095 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.04823 202.0
[M+Na]+ 503.03017 208.4
[M+NH4]+ 498.07477 204.0
[M+K]+ 519.00411 204.2
[M-H]- 479.03367 202.7
[M+Na-2H]- 501.01562 205.9
[M]+ 480.04040 203.4
[M]- 480.04150 203.4
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