CID 98193

Methionine, n-[2-(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]+ 352.01718 171.0
[M+Na]+ 373.99912 177.3
[M-H]- 350.00262 172.9
[M+NH4]+ 369.04372 185.0
[M+K]+ 389.97306 172.0
[M+H-H2O]+ 334.00716 166.9
[M+HCOO]- 396.00810 177.4
[M+CH3COO]- 410.02375 208.1
[M+Na-2H]- 371.98457 169.1
[M]+ 351.00935 178.2
[M]- 351.01045 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