CID 29056

18394-54-2

Structural Information

Molecular Formula
C18H26N2O3
SMILES
CCN(CC)CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC)C)C
InChI
InChI=1S/C18H26N2O3/c1-6-20(7-2)10-11-23-18(21)17-13(3)19(4)16-9-8-14(22-5)12-15(16)17/h8-9,12H,6-7,10-11H2,1-5H3
InChIKey
LSOCQPVOIHPFPK-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 5-methoxy-1,2-dimethylindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.19434 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.20162 177.5
[M+Na]+ 341.18356 186.0
[M-H]- 317.18706 182.6
[M+NH4]+ 336.22816 194.7
[M+K]+ 357.15750 184.0
[M+H-H2O]+ 301.19160 169.8
[M+HCOO]- 363.19254 201.1
[M+CH3COO]- 377.20819 216.5
[M+Na-2H]- 339.16901 178.3
[M]+ 318.19379 187.0
[M]- 318.19489 187.0
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.