CID 11314

Congo red

Structural Information

Molecular Formula
C32H24N6O6S2
SMILES
C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)O)N)S(=O)(=O)O
InChI
InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44)
InChIKey
HFHIDKQMGIGARX-UHFFFAOYSA-N
Compound name
4-amino-3-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2564
References

37641
Patents

652.1199 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.12718 241.6
[M+Na]+ 675.10912 254.3
[M+NH4]+ 670.15372 245.8
[M+K]+ 691.08306 244.0
[M-H]- 651.11262 251.6
[M+Na-2H]- 673.09457 253.9
[M]+ 652.11935 247.0
[M]- 652.12045 247.0
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

patents stripe