CID 90659055

Hydrodidemethylasterriquinone d

Structural Information

Molecular Formula
C22H18N2O4
SMILES
C1=CC=C2C(=C1)C(=CN2)C3=C(C(C(=C(C3O)O)C4=CNC5=CC=CC=C54)O)O
InChI
InChI=1S/C22H18N2O4/c25-19-17(13-9-23-15-7-3-1-5-11(13)15)20(26)22(28)18(21(19)27)14-10-24-16-8-4-2-6-12(14)16/h1-10,19,22-28H
InChIKey
MSBVTJUYXQZLBV-UHFFFAOYSA-N
Compound name
3,6-bis(1H-indol-3-yl)cyclohexa-2,5-diene-1,2,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

374.12665 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13393 190.0
[M+Na]+ 397.11587 204.8
[M+NH4]+ 392.16047 196.4
[M+K]+ 413.08981 202.1
[M-H]- 373.11937 193.5
[M+Na-2H]- 395.10132 195.3
[M]+ 374.12610 193.0
[M]- 374.12720 193.0
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.