CID 136160617

212716-70-6

Structural Information

Molecular Formula
C16H12N4O10S2
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])O)N=NC2=C(C3=C(C=CC(=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N)O
InChI
InChI=1S/C16H12N4O10S2/c17-9-2-4-12(31(25,26)27)8-6-13(32(28,29)30)15(16(22)14(8)9)19-18-10-3-1-7(20(23)24)5-11(10)21/h1-6,21-22H,17H2,(H,25,26,27)(H,28,29,30)
InChIKey
NVTQISZLVVWPLV-UHFFFAOYSA-N
Compound name
4-amino-5-hydroxy-6-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalene-1,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

483.99948 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.00676 194.0
[M+Na]+ 506.98870 197.2
[M-H]- 482.99220 197.1
[M+NH4]+ 502.03330 197.8
[M+K]+ 522.96264 188.8
[M+H-H2O]+ 466.99674 189.5
[M+HCOO]- 528.99768 204.6
[M+CH3COO]- 543.01333 228.3
[M+Na-2H]- 504.97415 206.3
[M]+ 483.99893 194.6
[M]- 484.00003 194.6
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.