CID 28975

Of-2439

Structural Information

Molecular Formula
C19H28N2O3
SMILES
CCN(CC)CCN1C(=C(C2=C1C=CC(=C2)OC)C(=O)OCC)C
InChI
InChI=1S/C19H28N2O3/c1-6-20(7-2)11-12-21-14(4)18(19(22)24-8-3)16-13-15(23-5)9-10-17(16)21/h9-10,13H,6-8,11-12H2,1-5H3
InChIKey
DVQBXSWPSHURCO-UHFFFAOYSA-N
Compound name
ethyl 1-[2-(diethylamino)ethyl]-5-methoxy-2-methylindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.21 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.21728 181.2
[M+Na]+ 355.19922 192.4
[M+NH4]+ 350.24382 187.5
[M+K]+ 371.17316 187.8
[M-H]- 331.20272 182.6
[M+Na-2H]- 353.18467 184.5
[M]+ 332.20945 183.0
[M]- 332.21055 183.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.