CID 22926

C.i. direct violet 28

Structural Information

Molecular Formula
C34H26N4O8S2
SMILES
CC1=CC(=CC=C1)C2=CC(=C(C=C2)N=NC3=CC(=C(C4=C3C(=CC=C4)S(=O)(=O)O)O)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)O)O)C
InChI
InChI=1S/C34H26N4O8S2/c1-19-7-5-8-21(15-19)22-13-14-26(20(2)16-22)35-36-27-17-28(34(40)25-11-6-12-30(32(25)27)47(41,42)43)37-38-29-18-31(48(44,45)46)23-9-3-4-10-24(23)33(29)39/h3-18,39-40H,1-2H3,(H,41,42,43)(H,44,45,46)
InChIKey
FNDUEIJXHJVNEI-UHFFFAOYSA-N
Compound name
5-hydroxy-6-[(1-hydroxy-4-sulfonaphthalen-2-yl)diazenyl]-8-[[2-methyl-4-(3-methylphenyl)phenyl]diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

682.1192 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 683.12648 253.0
[M+Na]+ 705.10842 266.9
[M+NH4]+ 700.15302 256.4
[M+K]+ 721.08236 256.7
[M-H]- 681.11192 261.4
[M+Na-2H]- 703.09387 263.9
[M]+ 682.11865 258.3
[M]- 682.11975 258.3
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.