CID 200046

Beta-alanyl-5-methoxytryptamine acetate

Structural Information

Molecular Formula
C14H19N3O2
SMILES
COC1=CC2=C(C=C1)NC=C2CCNC(=O)CCN
InChI
InChI=1S/C14H19N3O2/c1-19-11-2-3-13-12(8-11)10(9-17-13)5-7-16-14(18)4-6-15/h2-3,8-9,17H,4-7,15H2,1H3,(H,16,18)
InChIKey
RSYHUVCWCRDAAC-UHFFFAOYSA-N
Compound name
3-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.14774 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.15502 160.4
[M+Na]+ 284.13696 169.9
[M+NH4]+ 279.18156 166.8
[M+K]+ 300.11090 166.1
[M-H]- 260.14046 161.5
[M+Na-2H]- 282.12241 164.3
[M]+ 261.14719 161.6
[M]- 261.14829 161.6
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