CID 90658629

4-hydroxy-3-(1h-indol-3-yl)-5-(3-methylbut-2-enyl)-6-[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]cyclohexa-3,5-diene-1,2-dione

Structural Information

Molecular Formula
C32H30N2O3
SMILES
CC(=CCC1=C(C(=O)C(=O)C(=C1O)C2=CNC3=CC=CC=C32)C4=C(NC5=CC=CC=C54)C(C)(C)C=C)C
InChI
InChI=1S/C32H30N2O3/c1-6-32(4,5)31-26(20-12-8-10-14-24(20)34-31)25-21(16-15-18(2)3)28(35)27(30(37)29(25)36)22-17-33-23-13-9-7-11-19(22)23/h6-15,17,33-35H,1,16H2,2-5H3
InChIKey
SRXMHMNGBGIHKE-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(1H-indol-3-yl)-5-(3-methylbut-2-enyl)-6-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-3,5-diene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

490.22565 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.23293 227.0
[M+Na]+ 513.21487 235.9
[M-H]- 489.21837 233.9
[M+NH4]+ 508.25947 235.4
[M+K]+ 529.18881 225.8
[M+H-H2O]+ 473.22291 218.8
[M+HCOO]- 535.22385 239.8
[M+CH3COO]- 549.23950 234.0
[M+Na-2H]- 511.20032 222.0
[M]+ 490.22510 229.0
[M]- 490.22620 229.0
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.