CID 24891365

N-(4-hydroxycinnamoyl)tyrosine

Structural Information

Molecular Formula
C18H17NO5
SMILES
C1=CC(=CC=C1CC(C(=O)O)NC(=O)/C=C/C2=CC=C(C=C2)O)O
InChI
InChI=1S/C18H17NO5/c20-14-6-1-12(2-7-14)5-10-17(22)19-16(18(23)24)11-13-3-8-15(21)9-4-13/h1-10,16,20-21H,11H2,(H,19,22)(H,23,24)/b10-5+
InChIKey
LEEDEKWKJVUWGA-BJMVGYQFSA-N
Compound name
3-(4-hydroxyphenyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

46
Patents

327.1107 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.117976 175.3
[M+Na]+ 350.099918 179.3
[M-H]- 326.103424 177.7
[M+NH4]+ 345.144523 186.2
[M+K]+ 366.073858 175.1
[M+H-H2O]+ 310.107960 167.5
[M+HCOO]- 372.108901 193.4
[M+CH3COO]- 386.124551 203.9
[M+Na-2H]- 348.085366 175.3
[M]+ 327.11015142 173.3
[M]- 327.11124858 173.3
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