CID 204357

16200-03-6

Structural Information

Molecular Formula
C18H26N2O3
SMILES
CCN(CC)CC1=C(C=CC2=C1C(=C(N2C)C)C(=O)OCC)O
InChI
InChI=1S/C18H26N2O3/c1-6-20(7-2)11-13-15(21)10-9-14-17(13)16(12(4)19(14)5)18(22)23-8-3/h9-10,21H,6-8,11H2,1-5H3
InChIKey
HVGSRGWSMSUNPM-UHFFFAOYSA-N
Compound name
ethyl 4-(diethylaminomethyl)-5-hydroxy-1,2-dimethylindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

318.19434 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.20162 177.3
[M+Na]+ 341.18356 188.5
[M+NH4]+ 336.22816 183.5
[M+K]+ 357.15750 184.6
[M-H]- 317.18706 178.3
[M+Na-2H]- 339.16901 180.0
[M]+ 318.19379 179.0
[M]- 318.19489 179.0
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.