CID 10432364

Ochrindole d

Structural Information

Molecular Formula
C27H22N2O3
SMILES
CC(=CCC1=C(C(=O)C(=O)C(=C1O)C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54)C
InChI
InChI=1S/C27H22N2O3/c1-15(2)11-12-18-23(19-13-28-21-9-5-3-7-16(19)21)26(31)27(32)24(25(18)30)20-14-29-22-10-6-4-8-17(20)22/h3-11,13-14,28-30H,12H2,1-2H3
InChIKey
KTLJMAJOQBABFT-UHFFFAOYSA-N
Compound name
4-hydroxy-3,6-bis(1H-indol-3-yl)-5-(3-methylbut-2-enyl)cyclohexa-3,5-diene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

422.16306 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.17034 205.3
[M+Na]+ 445.15228 220.9
[M+NH4]+ 440.19688 211.5
[M+K]+ 461.12622 216.2
[M-H]- 421.15578 209.6
[M+Na-2H]- 443.13773 210.9
[M]+ 422.16251 208.7
[M]- 422.16361 208.7
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

No patent data available for this compound.