CID 109848

Einecs 274-922-9

Structural Information

Molecular Formula
C32H23N5O6S2
SMILES
C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=C5C=CC(=CC5=C(C=C4)N=NC6=CC=CC=C6)S(=O)(=O)O)C=CC=C3S(=O)(=O)O
InChI
InChI=1S/C32H23N5O6S2/c38-44(39,40)23-14-15-24-26(20-23)29(35-34-22-10-5-2-6-11-22)17-16-27(24)36-37-28-18-19-30(33-21-8-3-1-4-9-21)32-25(28)12-7-13-31(32)45(41,42)43/h1-20,33H,(H,38,39,40)(H,41,42,43)
InChIKey
VCNKKDWJUCNZBS-UHFFFAOYSA-N
Compound name
8-anilino-5-[(4-phenyldiazenyl-6-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

637.10895 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 638.11623 240.6
[M+Na]+ 660.09817 246.2
[M-H]- 636.10167 254.5
[M+NH4]+ 655.14277 242.2
[M+K]+ 676.07211 240.9
[M+H-H2O]+ 620.10621 227.9
[M+HCOO]- 682.10715 257.2
[M+CH3COO]- 696.12280 246.2
[M+Na-2H]- 658.08362 255.4
[M]+ 637.10840 246.6
[M]- 637.10950 246.6
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.