CID 115678

1-benzyl-5-methoxytryptophan

Structural Information

Molecular Formula
C19H20N2O3
SMILES
COC1=CC2=C(C=C1)N(C=C2CC(C(=O)O)N)CC3=CC=CC=C3
InChI
InChI=1S/C19H20N2O3/c1-24-15-7-8-18-16(10-15)14(9-17(20)19(22)23)12-21(18)11-13-5-3-2-4-6-13/h2-8,10,12,17H,9,11,20H2,1H3,(H,22,23)
InChIKey
UXMTUUFYPGQFAE-UHFFFAOYSA-N
Compound name
2-amino-3-(1-benzyl-5-methoxyindol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1474 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15468 176.7
[M+Na]+ 347.13662 189.1
[M+NH4]+ 342.18122 183.4
[M+K]+ 363.11056 184.7
[M-H]- 323.14012 179.9
[M+Na-2H]- 345.12207 182.8
[M]+ 324.14685 179.2
[M]- 324.14795 179.2
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

No patent data available for this compound.