CID 106011

67893-46-3

Structural Information

Molecular Formula
C18H16N4O5S
SMILES
CC(=O)NC1=CC=C(C=C1)N=NC2=C(C=C3C=CC(=CC3=C2O)N)S(=O)(=O)O
InChI
InChI=1S/C18H16N4O5S/c1-10(23)20-13-4-6-14(7-5-13)21-22-17-16(28(25,26)27)8-11-2-3-12(19)9-15(11)18(17)24/h2-9,24H,19H2,1H3,(H,20,23)(H,25,26,27)
InChIKey
ZJVVWSPGULVQDU-UHFFFAOYSA-N
Compound name
3-[(4-acetamidophenyl)diazenyl]-6-amino-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.08414 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.09142 188.7
[M+Na]+ 423.07336 198.3
[M+NH4]+ 418.11796 193.5
[M+K]+ 439.04730 192.4
[M-H]- 399.07686 192.5
[M+Na-2H]- 421.05881 194.7
[M]+ 400.08359 191.2
[M]- 400.08469 191.2
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.