CID 363326

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

Structural Information

Molecular Formula
C12H10N2O2
SMILES
C1C(C(=O)NC1=O)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C12H10N2O2/c15-11-5-8(12(16)14-11)9-6-13-10-4-2-1-3-7(9)10/h1-4,6,8,13H,5H2,(H,14,15,16)
InChIKey
VNQNEQQYAIPCAQ-UHFFFAOYSA-N
Compound name
3-(1H-indol-3-yl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

110
Patents

214.07423 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08151 145.2
[M+Na]+ 237.06345 155.2
[M-H]- 213.06695 148.6
[M+NH4]+ 232.10805 164.5
[M+K]+ 253.03739 149.7
[M+H-H2O]+ 197.07149 138.6
[M+HCOO]- 259.07243 165.4
[M+CH3COO]- 273.08808 157.9
[M+Na-2H]- 235.04890 147.8
[M]+ 214.07368 142.6
[M]- 214.07478 142.6
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