CID 54716730

3-(1-ethylindol-3-yl)-4-hydroxy-pyrrole-2,5-dione

Structural Information

Molecular Formula
C14H12N2O3
SMILES
CCN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)O
InChI
InChI=1S/C14H12N2O3/c1-2-16-7-9(8-5-3-4-6-10(8)16)11-12(17)14(19)15-13(11)18/h3-7H,2H2,1H3,(H2,15,17,18,19)
InChIKey
LZOXRRZQUWDFMX-UHFFFAOYSA-N
Compound name
3-(1-ethylindol-3-yl)-4-hydroxypyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

256.08478 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.092056 155.7
[M+Na]+ 279.073998 167.4
[M-H]- 255.077504 160.1
[M+NH4]+ 274.118603 173.9
[M+K]+ 295.047938 162.0
[M+H-H2O]+ 239.082040 149.4
[M+HCOO]- 301.082981 176.8
[M+CH3COO]- 315.098631 168.7
[M+Na-2H]- 277.059446 157.0
[M]+ 256.08423142 157.6
[M]- 256.08532858 157.6
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

No patent data available for this compound.