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 159.3
[M+Na]+ 284.13696 166.4
[M-H]- 260.14046 161.0
[M+NH4]+ 279.18156 176.4
[M+K]+ 300.11090 162.2
[M+H-H2O]+ 244.14500 152.0
[M+HCOO]- 306.14594 182.6
[M+CH3COO]- 320.16159 198.8
[M+Na-2H]- 282.12241 163.5
[M]+ 261.14719 160.5
[M]- 261.14829 160.5
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