CID 363323

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

Structural Information

Molecular Formula
C13H12N2O2
SMILES
CC1=C(C2=CC=CC=C2N1)C3CC(=O)NC3=O
InChI
InChI=1S/C13H12N2O2/c1-7-12(9-6-11(16)15-13(9)17)8-4-2-3-5-10(8)14-7/h2-5,9,14H,6H2,1H3,(H,15,16,17)
InChIKey
WXYALNNGKUJFKN-UHFFFAOYSA-N
Compound name
3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

228.08987 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 149.9
[M+Na]+ 251.07909 160.3
[M-H]- 227.08259 153.5
[M+NH4]+ 246.12369 168.9
[M+K]+ 267.05303 154.6
[M+H-H2O]+ 211.08713 143.5
[M+HCOO]- 273.08807 169.7
[M+CH3COO]- 287.10372 162.5
[M+Na-2H]- 249.06454 151.3
[M]+ 228.08932 148.1
[M]- 228.09042 148.1
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.