CID 416075

C.i. direct violet 1

Structural Information

Molecular Formula
C32H24N6O8S2
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)O)S(=O)(=O)O)N)N=NC5=C(C=CC6=CC(=CC(=C65)O)S(=O)(=O)O)N
InChI
InChI=1S/C32H24N6O8S2/c33-25-11-5-19-13-23(47(41,42)43)15-27(39)29(19)31(25)37-35-21-7-1-17(2-8-21)18-3-9-22(10-4-18)36-38-32-26(34)12-6-20-14-24(48(44,45)46)16-28(40)30(20)32/h1-16,39-40H,33-34H2,(H,41,42,43)(H,44,45,46)
InChIKey
MPTZYMIJXLJHHT-UHFFFAOYSA-N
Compound name
6-amino-5-[[4-[4-[(2-amino-8-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

684.1097 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 685.11698 244.8
[M+Na]+ 707.09892 250.8
[M+NH4]+ 702.14352 248.9
[M+K]+ 723.07286 248.2
[M-H]- 683.10242 243.3
[M+Na-2H]- 705.08437 266.7
[M]+ 684.10915 247.2
[M]- 684.11025 247.2
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

patents stripe