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]+ 319.201616 177.5
[M+Na]+ 341.183558 186.0
[M-H]- 317.187064 182.6
[M+NH4]+ 336.228163 194.7
[M+K]+ 357.157498 184.0
[M+H-H2O]+ 301.191600 169.8
[M+HCOO]- 363.192541 201.1
[M+CH3COO]- 377.208191 216.5
[M+Na-2H]- 339.169006 178.3
[M]+ 318.19379142 187.0
[M]- 318.19488858 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.