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]+ 276.170676 165.3
[M+Na]+ 298.152618 172.1
[M-H]- 274.156124 168.3
[M+NH4]+ 293.197223 182.4
[M+K]+ 314.126558 169.1
[M+H-H2O]+ 258.160660 157.6
[M+HCOO]- 320.161601 188.7
[M+CH3COO]- 334.177251 204.4
[M+Na-2H]- 296.138066 168.0
[M]+ 275.16285142 167.9
[M]- 275.16394858 167.9
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