CID 3060301

1h-indole-2-carboxylic acid, 1-(2-(dimethylamino)ethyl)-3-methoxy-

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CN(C)CCN1C2=CC=CC=C2C(=C1C(=O)O)OC
InChI
InChI=1S/C14H18N2O3/c1-15(2)8-9-16-11-7-5-4-6-10(11)13(19-3)12(16)14(17)18/h4-7H,8-9H2,1-3H3,(H,17,18)
InChIKey
AGPTZZYMNXMEEJ-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

262.13174 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.139016 159.0
[M+Na]+ 285.120958 167.8
[M-H]- 261.124464 163.0
[M+NH4]+ 280.165563 177.4
[M+K]+ 301.094898 165.9
[M+H-H2O]+ 245.129000 152.0
[M+HCOO]- 307.129941 182.5
[M+CH3COO]- 321.145591 201.5
[M+Na-2H]- 283.106406 162.2
[M]+ 262.13119142 164.9
[M]- 262.13228858 164.9
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

patents stripe