CID 165363142

C.i. acid brown 348

Structural Information

Molecular Formula
C28H18N8O10S
SMILES
C1=CC=C2C(=C1)C=CC=C2N=NC3=C(C(=C(C=C3N=NC4=CC=C(C=C4)[N+](=O)[O-])O)N=NC5=C(C(=CC(=C5)S(=O)(=O)O)[N+](=O)[O-])O)O
InChI
InChI=1S/C28H18N8O10S/c37-24-14-21(31-29-16-8-10-17(11-9-16)35(40)41)25(33-30-20-7-3-5-15-4-1-2-6-19(15)20)28(39)26(24)34-32-22-12-18(47(44,45)46)13-23(27(22)38)36(42)43/h1-14,37-39H,(H,44,45,46)
InChIKey
HVZDBIDPZTZTOQ-UHFFFAOYSA-N
Compound name
3-[[2,6-dihydroxy-3-(naphthalen-1-yldiazenyl)-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-5-nitrobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

658.0867 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.09398 234.6
[M+Na]+ 681.07592 239.6
[M+NH4]+ 676.12052 239.3
[M+K]+ 697.04986 237.1
[M-H]- 657.07942 233.4
[M+Na-2H]- 679.06137 259.8
[M]+ 658.08615 237.5
[M]- 658.08725 237.5
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.