CID 484948

3,4-bis(1h-indol-3-yl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C20H15N3O2
SMILES
C1=CC=C2C(=C1)C(=CN2)C3C(C(=O)NC3=O)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C20H15N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,17-18,21-22H,(H,23,24,25)
InChIKey
QBMMMCZNMCDPBJ-UHFFFAOYSA-N
Compound name
3,4-bis(1H-indol-3-yl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

329.11642 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12370 175.0
[M+Na]+ 352.10564 185.9
[M-H]- 328.10914 181.6
[M+NH4]+ 347.15024 190.4
[M+K]+ 368.07958 177.4
[M+H-H2O]+ 312.11368 167.7
[M+HCOO]- 374.11462 193.0
[M+CH3COO]- 388.13027 185.9
[M+Na-2H]- 350.09109 174.0
[M]+ 329.11587 173.8
[M]- 329.11697 173.8
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