CID 4352767

2-naphthalenesulfonic acid, 6-amino-4-hydroxy-5-[(4-nitro-2-sulfophenyl)azo]-, disodium salt

Structural Information

Molecular Formula
C16H12N4O9S2
SMILES
C1=CC(=C(C2=C(C=C(C=C21)S(=O)(=O)O)O)N=NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O)N
InChI
InChI=1S/C16H12N4O9S2/c17-11-3-1-8-5-10(30(24,25)26)7-13(21)15(8)16(11)19-18-12-4-2-9(20(22)23)6-14(12)31(27,28)29/h1-7,21H,17H2,(H,24,25,26)(H,27,28,29)
InChIKey
VCCBSXQXECFSJO-UHFFFAOYSA-N
Compound name
6-amino-4-hydroxy-5-[(4-nitro-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

563
Patents

468.00458 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.01186 192.6
[M+Na]+ 490.99380 196.4
[M-H]- 466.99730 197.0
[M+NH4]+ 486.03840 197.9
[M+K]+ 506.96774 187.7
[M+H-H2O]+ 451.00184 188.1
[M+HCOO]- 513.00278 204.7
[M+CH3COO]- 527.01843 226.3
[M+Na-2H]- 488.97925 204.9
[M]+ 468.00403 193.3
[M]- 468.00513 193.3
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