CID 165450

6369-33-1

Structural Information

Molecular Formula
C28H28N4O6S
SMILES
CCN(C1=CC(=C(C=C1)C)N=NC2=C(C=C3C=CC(=CC3=C2O)NC4=CC=C(C=C4)OC)S(=O)(=O)O)C(=O)C
InChI
InChI=1S/C28H28N4O6S/c1-5-32(18(3)33)22-11-6-17(2)25(16-22)30-31-27-26(39(35,36)37)14-19-7-8-21(15-24(19)28(27)34)29-20-9-12-23(38-4)13-10-20/h6-16,29,34H,5H2,1-4H3,(H,35,36,37)
InChIKey
LAMMJZSGRJTYHX-UHFFFAOYSA-N
Compound name
3-[[5-[acetyl(ethyl)amino]-2-methylphenyl]diazenyl]-4-hydroxy-6-(4-methoxyanilino)naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.173 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.18028 229.4
[M+Na]+ 571.16222 233.9
[M-H]- 547.16572 240.6
[M+NH4]+ 566.20682 234.3
[M+K]+ 587.13616 231.3
[M+H-H2O]+ 531.17026 217.8
[M+HCOO]- 593.17120 247.6
[M+CH3COO]- 607.18685 263.4
[M+Na-2H]- 569.14767 232.7
[M]+ 548.17245 236.7
[M]- 548.17355 236.7
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.