CID 5081753

N-acetyl-o-benzyl-l-tyrosine

Structural Information

Molecular Formula
C18H19NO4
SMILES
CC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C18H19NO4/c1-13(20)19-17(18(21)22)11-14-7-9-16(10-8-14)23-12-15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3,(H,19,20)(H,21,22)
InChIKey
VCXXRMRBSJAWIA-UHFFFAOYSA-N
Compound name
2-acetamido-3-(4-phenylmethoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

313.1314 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13868 174.0
[M+Na]+ 336.12062 184.7
[M+NH4]+ 331.16522 179.8
[M+K]+ 352.09456 179.3
[M-H]- 312.12412 176.5
[M+Na-2H]- 334.10607 180.4
[M]+ 313.13085 175.9
[M]- 313.13195 175.9
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