CID 21590181

5,5',6,6'-tetrahydroxy-3,3'-biindolyl

Structural Information

Molecular Formula
C16H12N2O4
SMILES
C1=C2C(=CC(=C1O)O)NC=C2C3=CNC4=CC(=C(C=C43)O)O
InChI
InChI=1S/C16H12N2O4/c19-13-1-7-9(5-17-11(7)3-15(13)21)10-6-18-12-4-16(22)14(20)2-8(10)12/h1-6,17-22H
InChIKey
UHYVKNUCMCSKMR-UHFFFAOYSA-N
Compound name
3-(5,6-dihydroxy-1H-indol-3-yl)-1H-indole-5,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

36
Patents

296.0797 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08698 163.7
[M+Na]+ 319.06892 176.0
[M-H]- 295.07242 165.2
[M+NH4]+ 314.11352 178.8
[M+K]+ 335.04286 168.3
[M+H-H2O]+ 279.07696 158.4
[M+HCOO]- 341.07790 180.4
[M+CH3COO]- 355.09355 174.9
[M+Na-2H]- 317.05437 166.6
[M]+ 296.07915 164.4
[M]- 296.08025 164.4
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