CID 3070197

L-tyrosine, n-(3-(4-ethoxyphenyl)-3-oxopropyl)-

Structural Information

Molecular Formula
C20H23NO5
SMILES
CCOC1=CC=C(C=C1)C(=O)CCN[C@@H](CC2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C20H23NO5/c1-2-26-17-9-5-15(6-10-17)19(23)11-12-21-18(20(24)25)13-14-3-7-16(22)8-4-14/h3-10,18,21-22H,2,11-13H2,1H3,(H,24,25)/t18-/m0/s1
InChIKey
SHAXHPHSZIITRD-SFHVURJKSA-N
Compound name
(2S)-2-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.15762 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16490 184.7
[M+Na]+ 380.14684 187.8
[M-H]- 356.15034 187.9
[M+NH4]+ 375.19144 194.9
[M+K]+ 396.12078 184.6
[M+H-H2O]+ 340.15488 176.1
[M+HCOO]- 402.15582 203.4
[M+CH3COO]- 416.17147 214.0
[M+Na-2H]- 378.13229 184.2
[M]+ 357.15707 186.0
[M]- 357.15817 186.0
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

No patent data available for this compound.