CID 588485

312536-71-3

Structural Information

Molecular Formula
C5H5N5O2S
SMILES
C1C(=O)N(C(=N)S1)C2=NON=C2N
InChI
InChI=1S/C5H5N5O2S/c6-3-4(9-12-8-3)10-2(11)1-13-5(10)7/h7H,1H2,(H2,6,8)
InChIKey
NZILYFRQOWYXOG-UHFFFAOYSA-N
Compound name
3-(4-amino-1,2,5-oxadiazol-3-yl)-2-imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.0164 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.02368 138.9
[M+Na]+ 222.00562 149.3
[M-H]- 198.00912 143.4
[M+NH4]+ 217.05022 156.4
[M+K]+ 237.97956 147.6
[M+H-H2O]+ 182.01366 131.9
[M+HCOO]- 244.01460 157.4
[M+CH3COO]- 258.03025 152.2
[M+Na-2H]- 219.99107 139.7
[M]+ 199.01585 138.3
[M]- 199.01695 138.3
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.