CID 165478

Direct red 149

Structural Information

Molecular Formula
C32H25N7O8S2
SMILES
C1=CC(=CC(=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC=CC(=C6)N)S(=O)(=O)O)S(=O)(=O)O)N
InChI
InChI=1S/C32H25N7O8S2/c33-19-3-1-5-23(15-19)36-38-29-27(48(42,43)44)13-17-11-21(7-9-25(17)31(29)40)35-22-8-10-26-18(12-22)14-28(49(45,46)47)30(32(26)41)39-37-24-6-2-4-20(34)16-24/h1-16,35,40-41H,33-34H2,(H,42,43,44)(H,45,46,47)
InChIKey
LLKHTJLAXJEXHT-UHFFFAOYSA-N
Compound name
3-[(3-aminophenyl)diazenyl]-7-[[6-[(3-aminophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

699.1206 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 700.12788 247.3
[M+Na]+ 722.10982 253.5
[M+NH4]+ 717.15442 251.9
[M+K]+ 738.08376 250.3
[M-H]- 698.11332 246.2
[M+Na-2H]- 720.09527 269.4
[M]+ 699.12005 250.2
[M]- 699.12115 250.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.