CID 204355

16200-02-5

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN(C)C)C)C
InChI
InChI=1S/C16H22N2O3/c1-6-21-16(20)14-10(2)18(5)12-7-8-13(19)11(15(12)14)9-17(3)4/h7-8,19H,6,9H2,1-5H3
InChIKey
CXCWEVZTMHDHDI-UHFFFAOYSA-N
Compound name
ethyl 4-[(dimethylamino)methyl]-5-hydroxy-1,2-dimethylindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.16306 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 168.3
[M+Na]+ 313.15228 179.9
[M+NH4]+ 308.19688 174.8
[M+K]+ 329.12622 176.5
[M-H]- 289.15578 169.4
[M+Na-2H]- 311.13773 171.6
[M]+ 290.16251 170.1
[M]- 290.16361 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.