CID 151182

5-methoxy-n,n-diisopropyltryptamine

Structural Information

Molecular Formula
C17H26N2O
SMILES
CC(C)N(CCC1=CNC2=C1C=C(C=C2)OC)C(C)C
InChI
InChI=1S/C17H26N2O/c1-12(2)19(13(3)4)9-8-14-11-18-17-7-6-15(20-5)10-16(14)17/h6-7,10-13,18H,8-9H2,1-5H3
InChIKey
DNBPMBJFRRVTSJ-UHFFFAOYSA-N
Compound name
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

62
References

369
Patents

274.2045 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.21178 169.1
[M+Na]+ 297.19372 175.4
[M-H]- 273.19722 172.3
[M+NH4]+ 292.23832 186.9
[M+K]+ 313.16766 172.6
[M+H-H2O]+ 257.20176 161.7
[M+HCOO]- 319.20270 189.9
[M+CH3COO]- 333.21835 206.8
[M+Na-2H]- 295.17917 169.9
[M]+ 274.20395 172.9
[M]- 274.20505 172.9
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