CID 6435476

Brn 5531564

Structural Information

Molecular Formula
C6H6N4O2S
SMILES
C1=NN=C(S1)NC(=O)/C=C/C(=O)N
InChI
InChI=1S/C6H6N4O2S/c7-4(11)1-2-5(12)9-6-10-8-3-13-6/h1-3H,(H2,7,11)(H,9,10,12)/b2-1+
InChIKey
ZJFVIRJBPOEKHR-OWOJBTEDSA-N
Compound name
(E)-N'-(1,3,4-thiadiazol-2-yl)but-2-enediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.02115 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.02843 141.3
[M+Na]+ 221.01037 148.3
[M+NH4]+ 216.05497 146.8
[M+K]+ 236.98431 145.1
[M-H]- 197.01387 140.3
[M+Na-2H]- 218.99582 144.0
[M]+ 198.02060 141.8
[M]- 198.02170 141.8
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.