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

1
Patents

290.16306 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.170336 167.9
[M+Na]+ 313.152278 177.3
[M-H]- 289.155784 173.4
[M+NH4]+ 308.196883 186.3
[M+K]+ 329.126218 175.8
[M+H-H2O]+ 273.160320 160.7
[M+HCOO]- 335.161261 192.2
[M+CH3COO]- 349.176911 210.6
[M+Na-2H]- 311.137726 169.8
[M]+ 290.16251142 176.8
[M]- 290.16360858 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.