CID 3046121

2-(s-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionylglycine

Structural Information

Molecular Formula
C14H15N3O4S
SMILES
CC(C(=O)NCC(=O)O)SCC1=NC(=NO1)C2=CC=CC=C2
InChI
InChI=1S/C14H15N3O4S/c1-9(14(20)15-7-12(18)19)22-8-11-16-13(17-21-11)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,20)(H,18,19)
InChIKey
RVINKJMACQUZPK-UHFFFAOYSA-N
Compound name
2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

321.07834 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.08562 172.3
[M+Na]+ 344.06756 181.1
[M+NH4]+ 339.11216 176.9
[M+K]+ 360.04150 177.9
[M-H]- 320.07106 173.8
[M+Na-2H]- 342.05301 175.8
[M]+ 321.07779 174.0
[M]- 321.07889 174.0
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

patents stripe