CID 393492

Indole ester derivative, 18

Structural Information

Molecular Formula
C21H24N2O2
SMILES
CCN(CC)CCOC(=O)C1=CC2=CC=CC=C2N1C3=CC=CC=C3
InChI
InChI=1S/C21H24N2O2/c1-3-22(4-2)14-15-25-21(24)20-16-17-10-8-9-13-19(17)23(20)18-11-6-5-7-12-18/h5-13,16H,3-4,14-15H2,1-2H3
InChIKey
KFXPIZBKVUPOEB-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 1-phenylindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.18378 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19106 182.7
[M+Na]+ 359.17300 189.4
[M-H]- 335.17650 190.3
[M+NH4]+ 354.21760 198.0
[M+K]+ 375.14694 185.4
[M+H-H2O]+ 319.18104 173.2
[M+HCOO]- 381.18198 206.4
[M+CH3COO]- 395.19763 216.7
[M+Na-2H]- 357.15845 185.4
[M]+ 336.18323 188.3
[M]- 336.18433 188.3
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.