CID 496503

Nsc692351

Structural Information

Molecular Formula
C21H17N3O2
SMILES
CN1C(=O)C(C(C1=O)C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C21H17N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,18-19,22-23H,1H3
InChIKey
KQAHOPCCKHMHRW-UHFFFAOYSA-N
Compound name
3,4-bis(1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

343.13208 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.13936 180.6
[M+Na]+ 366.12130 192.3
[M-H]- 342.12480 188.6
[M+NH4]+ 361.16590 196.3
[M+K]+ 382.09524 184.3
[M+H-H2O]+ 326.12934 173.1
[M+HCOO]- 388.13028 199.7
[M+CH3COO]- 402.14593 191.9
[M+Na-2H]- 364.10675 178.6
[M]+ 343.13153 181.8
[M]- 343.13263 181.8
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

patents stripe