CID 3046123

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

Structural Information

Molecular Formula
C20H28N4O4S
SMILES
CCN(CC)CCOC(=O)CNC(=O)C(C)SCC1=NC(=NO1)C2=CC=CC=C2
InChI
InChI=1S/C20H28N4O4S/c1-4-24(5-2)11-12-27-18(25)13-21-20(26)15(3)29-14-17-22-19(23-28-17)16-9-7-6-8-10-16/h6-10,15H,4-5,11-14H2,1-3H3,(H,21,26)
InChIKey
CMADZZQEMWQXMI-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

420.18314 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.19042 200.5
[M+Na]+ 443.17236 207.4
[M+NH4]+ 438.21696 204.2
[M+K]+ 459.14630 203.6
[M-H]- 419.17586 202.8
[M+Na-2H]- 441.15781 203.4
[M]+ 420.18259 202.1
[M]- 420.18369 202.1
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