CID 24801867

1135424-15-5

Structural Information

Molecular Formula
C16H22N2O2
SMILES
CCN(CC)CCC1=CNC2=C1C(=CC=C2)OC(=O)C
InChI
InChI=1S/C16H22N2O2/c1-4-18(5-2)10-9-13-11-17-14-7-6-8-15(16(13)14)20-12(3)19/h6-8,11,17H,4-5,9-10H2,1-3H3
InChIKey
WYEVVQJLTXBMPM-UHFFFAOYSA-N
Compound name
[3-[2-(diethylamino)ethyl]-1H-indol-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

163
Patents

274.16812 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17540 166.1
[M+Na]+ 297.15734 173.4
[M-H]- 273.16084 169.4
[M+NH4]+ 292.20194 183.9
[M+K]+ 313.13128 170.3
[M+H-H2O]+ 257.16538 158.7
[M+HCOO]- 319.16632 188.7
[M+CH3COO]- 333.18197 203.5
[M+Na-2H]- 295.14279 168.8
[M]+ 274.16757 170.8
[M]- 274.16867 170.8
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

patents stripe