CID 497676

(2s)-2-[(5-pyrazin-2-yl-2-thioxo-1,3,4-oxadiazol-3-yl)methylamino]propanoic acid

Structural Information

Molecular Formula
C10H11N5O3S
SMILES
C[C@@H](C(=O)O)NCN1C(=S)OC(=N1)C2=NC=CN=C2
InChI
InChI=1S/C10H11N5O3S/c1-6(9(16)17)13-5-15-10(19)18-8(14-15)7-4-11-2-3-12-7/h2-4,6,13H,5H2,1H3,(H,16,17)/t6-/m0/s1
InChIKey
ZTZIWMGBIKBIEU-LURJTMIESA-N
Compound name
(2S)-2-[(5-pyrazin-2-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.05826 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.06554 160.4
[M+Na]+ 304.04748 169.6
[M-H]- 280.05098 162.5
[M+NH4]+ 299.09208 171.0
[M+K]+ 320.02142 166.5
[M+H-H2O]+ 264.05552 151.9
[M+HCOO]- 326.05646 174.4
[M+CH3COO]- 340.07211 196.2
[M+Na-2H]- 302.03293 161.9
[M]+ 281.05771 163.5
[M]- 281.05881 163.5
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

No patent data available for this compound.