CID 135571117

86-31-7

Structural Information

Molecular Formula
C16H12N4O6S
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])O)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)N
InChI
InChI=1S/C16H12N4O6S/c17-13-5-1-9-7-11(27(24,25)26)3-4-12(9)16(13)19-18-14-6-2-10(20(22)23)8-15(14)21/h1-8,21H,17H2,(H,24,25,26)
InChIKey
MJNWERMHICVLPP-UHFFFAOYSA-N
Compound name
6-amino-5-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

388.04776 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.05504 179.0
[M+Na]+ 411.03698 190.4
[M+NH4]+ 406.08158 184.3
[M+K]+ 427.01092 187.0
[M-H]- 387.04048 184.0
[M+Na-2H]- 409.02243 185.7
[M]+ 388.04721 182.0
[M]- 388.04831 182.0
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