CID 355071

N-(1h-indol-3-yloxoacetyl)-dl-tyrosine

Structural Information

Molecular Formula
C19H16N2O5
SMILES
C1=CC=C2C(=C1)C(=CN2)C(=O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O
InChI
InChI=1S/C19H16N2O5/c22-12-7-5-11(6-8-12)9-16(19(25)26)21-18(24)17(23)14-10-20-15-4-2-1-3-13(14)15/h1-8,10,16,20,22H,9H2,(H,21,24)(H,25,26)
InChIKey
YOEMWLPRWFIQCU-UHFFFAOYSA-N
Compound name
3-(4-hydroxyphenyl)-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.10593 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.11321 180.2
[M+Na]+ 375.09515 189.7
[M+NH4]+ 370.13975 184.3
[M+K]+ 391.06909 188.2
[M-H]- 351.09865 180.5
[M+Na-2H]- 373.08060 184.1
[M]+ 352.10538 181.1
[M]- 352.10648 181.1
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

No patent data available for this compound.