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 167.9
[M+Na]+ 313.15228 177.8
[M-H]- 289.15578 172.5
[M+NH4]+ 308.19688 185.9
[M+K]+ 329.12622 175.5
[M+H-H2O]+ 273.16032 161.3
[M+HCOO]- 335.16126 190.7
[M+CH3COO]- 349.17691 209.4
[M+Na-2H]- 311.13773 168.7
[M]+ 290.16251 175.3
[M]- 290.16361 175.3
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.