CID 52568

5-diethylcarbamoyloxytryptamine, acetate

Structural Information

Molecular Formula
C15H21N3O2
SMILES
CCN(CC)C(=O)OC1=CC2=C(C=C1)NC=C2CCN
InChI
InChI=1S/C15H21N3O2/c1-3-18(4-2)15(19)20-12-5-6-14-13(9-12)11(7-8-16)10-17-14/h5-6,9-10,17H,3-4,7-8,16H2,1-2H3
InChIKey
SIDDAWTXNURQHP-UHFFFAOYSA-N
Compound name
[3-(2-aminoethyl)-1H-indol-5-yl] N,N-diethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

275.1634 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17068 164.9
[M+Na]+ 298.15262 174.5
[M+NH4]+ 293.19722 171.5
[M+K]+ 314.12656 170.9
[M-H]- 274.15612 166.4
[M+Na-2H]- 296.13807 168.8
[M]+ 275.16285 166.3
[M]- 275.16395 166.3
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

patents stripe