CID 50878551

N,n-diallyl-5-methoxytryptamine

Structural Information

Molecular Formula
C17H22N2O
SMILES
COC1=CC2=C(C=C1)NC=C2CCN(CC=C)CC=C
InChI
InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3
InChIKey
HGRHWEAUHXYNNP-UHFFFAOYSA-N
Compound name
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

192
Patents

270.17322 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.18050 165.8
[M+Na]+ 293.16244 173.3
[M-H]- 269.16594 168.8
[M+NH4]+ 288.20704 183.7
[M+K]+ 309.13638 168.2
[M+H-H2O]+ 253.17048 158.2
[M+HCOO]- 315.17142 189.0
[M+CH3COO]- 329.18707 203.4
[M+Na-2H]- 291.14789 169.1
[M]+ 270.17267 169.4
[M]- 270.17377 169.4
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