CID 73553809

4-acetoxydipropyltryptamine

Structural Information

Molecular Formula
C18H26N2O2
SMILES
CCCN(CCC)CCC1=CNC2=C1C(=CC=C2)OC(=O)C
InChI
InChI=1S/C18H26N2O2/c1-4-10-20(11-5-2)12-9-15-13-19-16-7-6-8-17(18(15)16)22-14(3)21/h6-8,13,19H,4-5,9-12H2,1-3H3
InChIKey
KRUGABVNKKKCJN-UHFFFAOYSA-N
Compound name
[3-[2-(dipropylamino)ethyl]-1H-indol-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

302.19943 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.206706 175.5
[M+Na]+ 325.188648 181.9
[M-H]- 301.192154 178.4
[M+NH4]+ 320.233253 192.1
[M+K]+ 341.162588 178.3
[M+H-H2O]+ 285.196690 167.6
[M+HCOO]- 347.197631 197.4
[M+CH3COO]- 361.213281 209.5
[M+Na-2H]- 323.174096 177.1
[M]+ 302.19888142 180.9
[M]- 302.19997858 180.9
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