CID 173449

7-amino-4-hydroxy-3-((7-sulfo-1-naphthalenyl)azo)-2-naphthalenesulfonic acid

Structural Information

Molecular Formula
C20H15N3O7S2
SMILES
C1=CC2=C(C=C(C=C2)S(=O)(=O)O)C(=C1)N=NC3=C(C=C4C=C(C=CC4=C3O)N)S(=O)(=O)O
InChI
InChI=1S/C20H15N3O7S2/c21-13-5-7-15-12(8-13)9-18(32(28,29)30)19(20(15)24)23-22-17-3-1-2-11-4-6-14(10-16(11)17)31(25,26)27/h1-10,24H,21H2,(H,25,26,27)(H,28,29,30)
InChIKey
UPOWGJATRMGAMG-UHFFFAOYSA-N
Compound name
7-amino-4-hydroxy-3-[(7-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

473.03516 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.04244 202.1
[M+Na]+ 496.02438 210.3
[M-H]- 472.02788 208.0
[M+NH4]+ 491.06898 210.0
[M+K]+ 511.99832 204.8
[M+H-H2O]+ 456.03242 194.0
[M+HCOO]- 518.03336 213.8
[M+CH3COO]- 532.04901 235.8
[M+Na-2H]- 494.00983 212.9
[M]+ 473.03461 207.7
[M]- 473.03571 207.7
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.