CID 3060290

1h-indole-2-carboxylic acid, 1-(2-(dimethylamino)ethyl)-5-methyl-3-(1-methylethoxy)-, methyl ester, hydrochloride

Structural Information

Molecular Formula
C18H26N2O3
SMILES
CC1=CC2=C(C=C1)N(C(=C2OC(C)C)C(=O)OC)CCN(C)C
InChI
InChI=1S/C18H26N2O3/c1-12(2)23-17-14-11-13(3)7-8-15(14)20(10-9-19(4)5)16(17)18(21)22-6/h7-8,11-12H,9-10H2,1-6H3
InChIKey
DAWPVJXHJNGDOP-UHFFFAOYSA-N
Compound name
methyl 1-[2-(dimethylamino)ethyl]-5-methyl-3-propan-2-yloxyindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

318.19434 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.20162 176.4
[M+Na]+ 341.18356 187.4
[M+NH4]+ 336.22816 182.7
[M+K]+ 357.15750 183.9
[M-H]- 317.18706 177.6
[M+Na-2H]- 339.16901 179.6
[M]+ 318.19379 178.1
[M]- 318.19489 178.1
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.