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]+ 333.217276 182.2
[M+Na]+ 355.199218 190.2
[M-H]- 331.202724 187.1
[M+NH4]+ 350.243823 198.8
[M+K]+ 371.173158 188.0
[M+H-H2O]+ 315.207260 174.4
[M+HCOO]- 377.208201 205.4
[M+CH3COO]- 391.223851 219.4
[M+Na-2H]- 353.184666 182.5
[M]+ 332.20945142 192.1
[M]- 332.21054858 192.1
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.