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 179.1
[M+Na]+ 375.09515 184.0
[M-H]- 351.09865 181.8
[M+NH4]+ 370.13975 190.1
[M+K]+ 391.06909 179.7
[M+H-H2O]+ 335.10319 171.2
[M+HCOO]- 397.10413 196.3
[M+CH3COO]- 411.11978 208.7
[M+Na-2H]- 373.08060 179.6
[M]+ 352.10538 178.4
[M]- 352.10648 178.4
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.