CID 17068

Direct fast brown m

Structural Information

Molecular Formula
C29H21N5O7S
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C=C4C=CC(=CC4=C3O)N)S(=O)(=O)O)N=NC5=CC(=C(C=C5)O)C(=O)O
InChI
InChI=1S/C29H21N5O7S/c30-19-6-1-18-13-26(42(39,40)41)27(28(36)23(18)14-19)34-32-21-9-4-17(5-10-21)16-2-7-20(8-3-16)31-33-22-11-12-25(35)24(15-22)29(37)38/h1-15,35-36H,30H2,(H,37,38)(H,39,40,41)
InChIKey
IRGWFPQSVKCDEC-UHFFFAOYSA-N
Compound name
5-[[4-[4-[(7-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

583.11615 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.12343 232.8
[M+Na]+ 606.10537 244.4
[M+NH4]+ 601.14997 236.0
[M+K]+ 622.07931 237.2
[M-H]- 582.10887 241.2
[M+Na-2H]- 604.09082 242.4
[M]+ 583.11560 236.9
[M]- 583.11670 236.9
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