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
2
Annotation Hits

0
References

44
Patents

327.1107 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.11798 175.3
[M+Na]+ 350.09992 179.3
[M-H]- 326.10342 177.7
[M+NH4]+ 345.14452 186.2
[M+K]+ 366.07386 175.1
[M+H-H2O]+ 310.10796 167.5
[M+HCOO]- 372.10890 193.4
[M+CH3COO]- 386.12455 203.9
[M+Na-2H]- 348.08537 175.3
[M]+ 327.11015 173.3
[M]- 327.11125 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