CID 80358

Atul paper scarlet a

Structural Information

Molecular Formula
C20H18N4O6S
SMILES
CC(=O)NC1=CC=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)C)S(=O)(=O)O
InChI
InChI=1S/C20H18N4O6S/c1-11(25)21-14-3-5-15(6-4-14)23-24-19-18(31(28,29)30)10-13-9-16(22-12(2)26)7-8-17(13)20(19)27/h3-10,27H,1-2H3,(H,21,25)(H,22,26)(H,28,29,30)
InChIKey
CECGUGFIJCQUOO-UHFFFAOYSA-N
Compound name
7-acetamido-3-[(4-acetamidophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

442.0947 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.10198 198.4
[M+Na]+ 465.08392 207.0
[M+NH4]+ 460.12852 201.9
[M+K]+ 481.05786 201.8
[M-H]- 441.08742 201.3
[M+Na-2H]- 463.06937 203.7
[M]+ 442.09415 200.4
[M]- 442.09525 200.4
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.