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 172.3
[M+Na]+ 325.15228 179.9
[M-H]- 301.15578 176.0
[M+NH4]+ 320.19688 189.0
[M+K]+ 341.12622 177.2
[M+H-H2O]+ 285.16032 165.1
[M+HCOO]- 347.16126 193.9
[M+CH3COO]- 361.17691 209.9
[M+Na-2H]- 323.13773 172.7
[M]+ 302.16251 177.9
[M]- 302.16361 177.9
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.