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

3
Patents

262.13174 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13902 159.0
[M+Na]+ 285.12096 167.8
[M-H]- 261.12446 163.0
[M+NH4]+ 280.16556 177.4
[M+K]+ 301.09490 165.9
[M+H-H2O]+ 245.12900 152.0
[M+HCOO]- 307.12994 182.5
[M+CH3COO]- 321.14559 201.5
[M+Na-2H]- 283.10641 162.2
[M]+ 262.13119 164.9
[M]- 262.13229 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