CID 199922

Glycyl-5-methoxytryptamine acetate

Structural Information

Molecular Formula
C13H17N3O2
SMILES
COC1=CC2=C(C=C1)NC=C2CCNC(=O)CN
InChI
InChI=1S/C13H17N3O2/c1-18-10-2-3-12-11(6-10)9(8-16-12)4-5-15-13(17)7-14/h2-3,6,8,16H,4-5,7,14H2,1H3,(H,15,17)
InChIKey
MSJUPJNPMFDFHJ-UHFFFAOYSA-N
Compound name
2-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

247.13208 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.139356 154.8
[M+Na]+ 270.121298 162.4
[M-H]- 246.124804 156.7
[M+NH4]+ 265.165903 172.4
[M+K]+ 286.095238 158.3
[M+H-H2O]+ 230.129340 147.6
[M+HCOO]- 292.130281 178.4
[M+CH3COO]- 306.145931 195.7
[M+Na-2H]- 268.106746 159.5
[M]+ 247.13153142 155.6
[M]- 247.13262858 155.6
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