CID 6435476

2-butenediamide, n-1,3,4-thiadiazol-2-yl-

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 140.4
[M+Na]+ 221.01037 147.8
[M-H]- 197.01387 141.3
[M+NH4]+ 216.05497 158.1
[M+K]+ 236.98431 145.4
[M+H-H2O]+ 181.01841 132.8
[M+HCOO]- 243.01935 159.1
[M+CH3COO]- 257.03500 182.5
[M+Na-2H]- 218.99582 142.1
[M]+ 198.02060 139.9
[M]- 198.02170 139.9
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.