CID 44145039

Einecs 281-712-0

Structural Information

Molecular Formula
C28H22N8O6S2
SMILES
C1=CC=C(C=C1)N=NC2=CC=CC3=C2C(=C(C=C3)S(=O)(=O)O)N=NC4=C(C=C(C(=C4)N=NC5=CC=C(C=C5)S(=O)(=O)O)N)N
InChI
InChI=1S/C28H22N8O6S2/c29-21-15-22(30)25(16-24(21)34-32-19-10-12-20(13-11-19)43(37,38)39)35-36-28-26(44(40,41)42)14-9-17-5-4-8-23(27(17)28)33-31-18-6-2-1-3-7-18/h1-16H,29-30H2,(H,37,38,39)(H,40,41,42)
InChIKey
IIFOWBDJWUFMAW-UHFFFAOYSA-N
Compound name
1-[[2,4-diamino-5-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-8-phenyldiazenylnaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

630.11035 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 631.11763 234.1
[M+Na]+ 653.09957 243.1
[M+NH4]+ 648.14417 237.1
[M+K]+ 669.07351 234.7
[M-H]- 629.10307 243.8
[M+Na-2H]- 651.08502 246.0
[M]+ 630.10980 238.6
[M]- 630.11090 238.6
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.