CID 3060294

1h-indole-2-carboxylic acid, 1-(2-(dimethylamino)ethyl)-3-methoxy-6-methyl-, methyl ester, hydrochloride

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CC1=CC2=C(C=C1)C(=C(N2CCN(C)C)C(=O)OC)OC
InChI
InChI=1S/C16H22N2O3/c1-11-6-7-12-13(10-11)18(9-8-17(2)3)14(15(12)20-4)16(19)21-5/h6-7,10H,8-9H2,1-5H3
InChIKey
OKQXVAHNNFWBDL-UHFFFAOYSA-N
Compound name
methyl 1-[2-(dimethylamino)ethyl]-3-methoxy-6-methylindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

290.16306 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 167.9
[M+Na]+ 313.15228 177.3
[M-H]- 289.15578 173.4
[M+NH4]+ 308.19688 186.3
[M+K]+ 329.12622 175.8
[M+H-H2O]+ 273.16032 160.7
[M+HCOO]- 335.16126 192.2
[M+CH3COO]- 349.17691 210.6
[M+Na-2H]- 311.13773 169.8
[M]+ 290.16251 176.8
[M]- 290.16361 176.8
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.