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]+ 375.133926 184.9
[M+Na]+ 397.115868 195.3
[M-H]- 373.119374 189.2
[M+NH4]+ 392.160473 196.4
[M+K]+ 413.089808 186.6
[M+H-H2O]+ 357.123910 178.2
[M+HCOO]- 419.124851 199.3
[M+CH3COO]- 433.140501 194.2
[M+Na-2H]- 395.101316 185.2
[M]+ 374.12610142 184.1
[M]- 374.12719858 184.1
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.