CID 98193

Methionine, n-((2,4-dichlorophenoxy)acetyl)-

Structural Information

Molecular Formula
C13H15Cl2NO4S
SMILES
CSCCC(C(=O)O)NC(=O)COC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C13H15Cl2NO4S/c1-21-5-4-10(13(18)19)16-12(17)7-20-11-3-2-8(14)6-9(11)15/h2-3,6,10H,4-5,7H2,1H3,(H,16,17)(H,18,19)
InChIKey
UJTANULYSZODGX-UHFFFAOYSA-N
Compound name
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-methylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

351.0099 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.017176 171.0
[M+Na]+ 373.999118 177.3
[M-H]- 350.002624 172.9
[M+NH4]+ 369.043723 185.0
[M+K]+ 389.973058 172.0
[M+H-H2O]+ 334.007160 166.9
[M+HCOO]- 396.008101 177.4
[M+CH3COO]- 410.023751 208.1
[M+Na-2H]- 371.984566 169.1
[M]+ 351.00935142 178.2
[M]- 351.01044858 178.2
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