CID 103309

65152-25-2

Structural Information

Molecular Formula
C27H20N4O9S2
SMILES
C1=CC=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=CC(=C5C=C4)O)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C27H20N4O9S2/c32-23-14-20(41(35,36)37)12-15-10-18(6-8-21(15)23)28-27(34)29-19-7-9-22-16(11-19)13-24(42(38,39)40)25(26(22)33)31-30-17-4-2-1-3-5-17/h1-14,32-33H,(H2,28,29,34)(H,35,36,37)(H,38,39,40)
InChIKey
SFKWASULANNHDT-UHFFFAOYSA-N
Compound name
4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

608.0672 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.07448 227.5
[M+Na]+ 631.05642 237.4
[M+NH4]+ 626.10102 229.8
[M+K]+ 647.03036 230.8
[M-H]- 607.05992 231.7
[M+Na-2H]- 629.04187 235.7
[M]+ 608.06665 230.7
[M]- 608.06775 230.7
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.