CID 393478

Indole ester derivative, 23

Structural Information

Molecular Formula
C15H20N2O2
SMILES
CCN(CC)CCOC(=O)C1=CC2=CC=CC=C2N1
InChI
InChI=1S/C15H20N2O2/c1-3-17(4-2)9-10-19-15(18)14-11-12-7-5-6-8-13(12)16-14/h5-8,11,16H,3-4,9-10H2,1-2H3
InChIKey
ZHGUFSNYQNIDMW-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.15247 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15975 161.5
[M+Na]+ 283.14169 168.3
[M-H]- 259.14519 164.7
[M+NH4]+ 278.18629 179.6
[M+K]+ 299.11563 165.5
[M+H-H2O]+ 243.14973 154.0
[M+HCOO]- 305.15067 184.5
[M+CH3COO]- 319.16632 199.3
[M+Na-2H]- 281.12714 165.5
[M]+ 260.15192 165.5
[M]- 260.15302 165.5
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.