CID 80370

Direct red 16

Structural Information

Molecular Formula
C26H19N5O8S2
SMILES
C1=CC=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)N=NC4=C(C=C5C=C(C=CC5=C4O)N)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C26H19N5O8S2/c27-16-6-8-19-14(10-16)12-21(40(34,35)36)24(25(19)32)31-29-18-7-9-20-15(11-18)13-22(41(37,38)39)23(26(20)33)30-28-17-4-2-1-3-5-17/h1-13,32-33H,27H2,(H,34,35,36)(H,37,38,39)
InChIKey
IEKTULOBNBFOMO-UHFFFAOYSA-N
Compound name
7-amino-4-hydroxy-3-[(5-hydroxy-6-phenyldiazenyl-7-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

84
Patents

593.0675 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.07478 228.1
[M+Na]+ 616.05672 234.1
[M-H]- 592.06022 237.4
[M+NH4]+ 611.10132 230.5
[M+K]+ 632.03066 230.1
[M+H-H2O]+ 576.06476 217.4
[M+HCOO]- 638.06570 242.1
[M+CH3COO]- 652.08135 265.7
[M+Na-2H]- 614.04217 241.4
[M]+ 593.06695 234.4
[M]- 593.06805 234.4
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.