CID 108896

60143-55-7

Structural Information

Molecular Formula
C24H23N5O7S
SMILES
CC(=O)C(C(=O)NC1=C(C=C(C=C1)OC)OC)N=NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)O
InChI
InChI=1S/C24H23N5O7S/c1-15(30)23(24(31)25-21-13-10-19(35-2)14-22(21)36-3)29-28-17-6-4-16(5-7-17)26-27-18-8-11-20(12-9-18)37(32,33)34/h4-14,23H,1-3H3,(H,25,31)(H,32,33,34)
InChIKey
UNJKOJFODAGWEV-UHFFFAOYSA-N
Compound name
4-[[4-[[1-(2,4-dimethoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.13184 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.13912 217.8
[M+Na]+ 548.12106 225.6
[M+NH4]+ 543.16566 220.1
[M+K]+ 564.09500 220.4
[M-H]- 524.12456 223.0
[M+Na-2H]- 546.10651 225.8
[M]+ 525.13129 220.2
[M]- 525.13239 220.2
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.