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]+ 257.09206 155.7
[M+Na]+ 279.07400 167.4
[M-H]- 255.07750 160.1
[M+NH4]+ 274.11860 173.9
[M+K]+ 295.04794 162.0
[M+H-H2O]+ 239.08204 149.4
[M+HCOO]- 301.08298 176.8
[M+CH3COO]- 315.09863 168.7
[M+Na-2H]- 277.05945 157.0
[M]+ 256.08423 157.6
[M]- 256.08533 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.