CID 10952191

L-tyrosine, n-acetyl-3,5-diiodo-o-(4-methoxyphenyl)-, ethyl ester

Structural Information

Molecular Formula
C20H21I2NO5
SMILES
CCOC(=O)[C@H](CC1=CC(=C(C(=C1)I)OC2=CC=C(C=C2)OC)I)NC(=O)C
InChI
InChI=1S/C20H21I2NO5/c1-4-27-20(25)18(23-12(2)24)11-13-9-16(21)19(17(22)10-13)28-15-7-5-14(26-3)6-8-15/h5-10,18H,4,11H2,1-3H3,(H,23,24)/t18-/m0/s1
InChIKey
LCJKMEUFNHSFPB-SFHVURJKSA-N
Compound name
ethyl (2S)-2-acetamido-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

608.9509 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.95818 218.5
[M+Na]+ 631.94012 212.9
[M+NH4]+ 626.98472 214.5
[M+K]+ 647.91406 213.8
[M-H]- 607.94362 208.5
[M+Na-2H]- 629.92557 200.1
[M]+ 608.95035 212.7
[M]- 608.95145 212.7
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