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 227.6
[M+Na]+ 631.05642 231.4
[M-H]- 607.05992 234.4
[M+NH4]+ 626.10102 228.2
[M+K]+ 647.03036 228.0
[M+H-H2O]+ 591.06446 217.7
[M+HCOO]- 653.06540 237.5
[M+CH3COO]- 667.08105 261.4
[M+Na-2H]- 629.04187 240.6
[M]+ 608.06665 232.9
[M]- 608.06775 232.9
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.