CID 136075961

72152-90-0

Structural Information

Molecular Formula
C33H23N7O10S2
SMILES
C1=CC(=CC=C1N=NC2=CC(=C(C=C2)O)C(=O)O)N=NC3=C4C=C(C=CC4=C(C=C3)N=NC5=C(C=C6C=C(C=CC6=C5O)N)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C33H23N7O10S2/c34-18-1-8-23-17(13-18)14-30(52(48,49)50)31(32(23)42)40-39-27-10-11-28(25-16-22(51(45,46)47)7-9-24(25)27)38-36-20-4-2-19(3-5-20)35-37-21-6-12-29(41)26(15-21)33(43)44/h1-16,41-42H,34H2,(H,43,44)(H,45,46,47)(H,48,49,50)
InChIKey
MABIOWOGNYXLNO-UHFFFAOYSA-N
Compound name
5-[[4-[[4-[(6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

741.0948 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 742.10208 267.6
[M+Na]+ 764.08402 279.5
[M-H]- 740.08752 270.9
[M+NH4]+ 759.12862 274.1
[M+K]+ 780.05796 269.7
[M+H-H2O]+ 724.09206 251.5
[M+HCOO]- 786.09300 274.9
[M+CH3COO]- 800.10865 277.7
[M+Na-2H]- 762.06947 295.6
[M]+ 741.09425 311.5
[M]- 741.09535 311.5
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.