CID 91705268

4-acetoxy-diisopropyltryptamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

302.19943 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.206706 175.9
[M+Na]+ 325.188648 181.7
[M-H]- 301.192154 179.1
[M+NH4]+ 320.233253 192.4
[M+K]+ 341.162588 179.3
[M+H-H2O]+ 285.196690 168.4
[M+HCOO]- 347.197631 195.8
[M+CH3COO]- 361.213281 211.3
[M+Na-2H]- 323.174096 175.1
[M]+ 302.19888142 180.1
[M]- 302.19997858 180.1
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