CID 22954

Direct blue 151

Structural Information

Molecular Formula
C34H27N5O10S2
SMILES
COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3O)N)S(=O)(=O)O)OC)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)O)O
InChI
InChI=1S/C34H27N5O10S2/c1-48-28-14-18(7-11-25(28)36-38-27-17-30(50(42,43)44)23-5-3-4-6-24(23)33(27)40)19-8-12-26(29(15-19)49-2)37-39-32-31(51(45,46)47)16-20-13-21(35)9-10-22(20)34(32)41/h3-17,40-41H,35H2,1-2H3,(H,42,43,44)(H,45,46,47)
InChIKey
DAUWYVUKZMSMCP-UHFFFAOYSA-N
Compound name
7-amino-4-hydroxy-3-[[4-[4-[(1-hydroxy-4-sulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

176
Patents

729.11993 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 730.12721 252.7
[M+Na]+ 752.10915 258.6
[M+NH4]+ 747.15375 256.6
[M+K]+ 768.08309 256.5
[M-H]- 728.11265 251.1
[M+Na-2H]- 750.09460 275.0
[M]+ 729.11938 254.9
[M]- 729.12048 254.9
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.