CID 59022

5-benzyloxy-n,n-dimethyltryptamine oxalate

Structural Information

Molecular Formula
C19H22N2O
SMILES
CN(C)CCC1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C19H22N2O/c1-21(2)11-10-16-13-20-19-9-8-17(12-18(16)19)22-14-15-6-4-3-5-7-15/h3-9,12-13,20H,10-11,14H2,1-2H3
InChIKey
IDIJUWFVRXORPJ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

294.17322 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 170.3
[M+Na]+ 317.16244 177.6
[M-H]- 293.16594 176.7
[M+NH4]+ 312.20704 186.8
[M+K]+ 333.13638 172.6
[M+H-H2O]+ 277.17048 161.5
[M+HCOO]- 339.17142 193.9
[M+CH3COO]- 353.18707 181.9
[M+Na-2H]- 315.14789 174.9
[M]+ 294.17267 173.4
[M]- 294.17377 173.4
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