CID 52902

74038-97-4

Structural Information

Molecular Formula
C17H22N2O3
SMILES
CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)C(=O)C)CCN(C)C
InChI
InChI=1S/C17H22N2O3/c1-5-22-17(21)16-13(8-9-19(3)4)14-10-12(11(2)20)6-7-15(14)18-16/h6-7,10,18H,5,8-9H2,1-4H3
InChIKey
HZAKRLXAOMLYBB-UHFFFAOYSA-N
Compound name
ethyl 5-acetyl-3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.16306 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17034 171.6
[M+Na]+ 325.15228 181.9
[M+NH4]+ 320.19688 177.5
[M+K]+ 341.12622 178.7
[M-H]- 301.15578 172.1
[M+Na-2H]- 323.13773 174.7
[M]+ 302.16251 172.9
[M]- 302.16361 172.9
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.