CID 267110

Ethyl 2,2-di(1h-indol-3-yl)propanoate

Structural Information

Molecular Formula
C21H20N2O2
SMILES
CCOC(=O)C(C)(C1=CNC2=CC=CC=C21)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C21H20N2O2/c1-3-25-20(24)21(2,16-12-22-18-10-6-4-8-14(16)18)17-13-23-19-11-7-5-9-15(17)19/h4-13,22-23H,3H2,1-2H3
InChIKey
JJYXPVIOPCTYAP-UHFFFAOYSA-N
Compound name
ethyl 2,2-bis(1H-indol-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.15247 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.15975 180.9
[M+Na]+ 355.14169 189.9
[M-H]- 331.14519 185.5
[M+NH4]+ 350.18629 196.2
[M+K]+ 371.11563 183.1
[M+H-H2O]+ 315.14973 173.4
[M+HCOO]- 377.15067 199.1
[M+CH3COO]- 391.16632 191.4
[M+Na-2H]- 353.12714 184.8
[M]+ 332.15192 183.5
[M]- 332.15302 183.5
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.