CID 44145880

Einecs 286-601-0

Structural Information

Molecular Formula
C30H21N5O6S2
SMILES
C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC=C(C4=CC=CC=C43)N=NC5=C6C=C(C=CC6=CC(=C5)S(=O)(=O)O)S(=O)(=O)O)N
InChI
InChI=1S/C30H21N5O6S2/c31-26-11-12-27(22-6-2-1-5-21(22)26)32-33-28-13-14-29(24-8-4-3-7-23(24)28)34-35-30-17-20(43(39,40)41)15-18-9-10-19(16-25(18)30)42(36,37)38/h1-17H,31H2,(H,36,37,38)(H,39,40,41)
InChIKey
CXFWGUYJXRBCBQ-UHFFFAOYSA-N
Compound name
4-[[4-[(4-aminonaphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2,6-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

611.0933 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 612.10058 231.8
[M+Na]+ 634.08252 245.3
[M+NH4]+ 629.12712 237.2
[M+K]+ 650.05646 234.4
[M-H]- 610.08602 240.3
[M+Na-2H]- 632.06797 243.2
[M]+ 611.09275 237.1
[M]- 611.09385 237.1
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.