CID 3021014

Dtxsid801128863

Structural Information

Molecular Formula
C24H19N3O6S2
SMILES
C1=CC=C(C=C1)C=CC2=C(C=C(C=C2)N=NC3=C(C=CC4=C3C=CC(=C4)S(=O)(=O)O)N)S(=O)(=O)O
InChI
InChI=1S/C24H19N3O6S2/c25-22-13-9-18-14-20(34(28,29)30)11-12-21(18)24(22)27-26-19-10-8-17(23(15-19)35(31,32)33)7-6-16-4-2-1-3-5-16/h1-15H,25H2,(H,28,29,30)(H,31,32,33)
InChIKey
HQZBUELDFBBVSZ-UHFFFAOYSA-N
Compound name
6-amino-5-[[4-(2-phenylethenyl)-3-sulfophenyl]diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.07153 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.07881 216.5
[M+Na]+ 532.06075 222.9
[M-H]- 508.06425 225.0
[M+NH4]+ 527.10535 222.3
[M+K]+ 548.03469 215.7
[M+H-H2O]+ 492.06879 206.7
[M+HCOO]- 554.06973 228.8
[M+CH3COO]- 568.08538 242.5
[M+Na-2H]- 530.04620 223.9
[M]+ 509.07098 219.6
[M]- 509.07208 219.6
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.