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
2
Annotation Hits

0
References

107
Patents

302.19943 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.20671 175.5
[M+Na]+ 325.18865 181.9
[M-H]- 301.19215 178.4
[M+NH4]+ 320.23325 192.1
[M+K]+ 341.16259 178.3
[M+H-H2O]+ 285.19669 167.6
[M+HCOO]- 347.19763 197.4
[M+CH3COO]- 361.21328 209.5
[M+Na-2H]- 323.17410 177.1
[M]+ 302.19888 180.9
[M]- 302.19998 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.