CID 5968702

4-oxo-4-((1,3,4-thiadiazol-2-yl)amino)-2-butenoic acid

Structural Information

Molecular Formula
C6H5N3O3S
SMILES
C1=NN=C(S1)NC(=O)/C=C/C(=O)O
InChI
InChI=1S/C6H5N3O3S/c10-4(1-2-5(11)12)8-6-9-7-3-13-6/h1-3H,(H,11,12)(H,8,9,10)/b2-1+
InChIKey
MNUAOWSWXIGCNE-OWOJBTEDSA-N
Compound name
(E)-4-oxo-4-(1,3,4-thiadiazol-2-ylamino)but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

199.00516 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.01244 141.8
[M+Na]+ 221.99438 149.3
[M+NH4]+ 217.03898 147.0
[M+K]+ 237.96832 146.2
[M-H]- 197.99788 139.7
[M+Na-2H]- 219.97983 144.0
[M]+ 199.00461 142.0
[M]- 199.00571 142.0
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