CID 6435709

104151-99-7

Structural Information

Molecular Formula
C7H8N4O2S
SMILES
CC1=NN=C(S1)NC(=O)/C=C/C(=O)N
InChI
InChI=1S/C7H8N4O2S/c1-4-10-11-7(14-4)9-6(13)3-2-5(8)12/h2-3H,1H3,(H2,8,12)(H,9,11,13)/b3-2+
InChIKey
CHWUJGYZIQIMJW-NSCUHMNNSA-N
Compound name
(E)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-enediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0368 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.044076 144.9
[M+Na]+ 235.026018 152.8
[M-H]- 211.029524 146.0
[M+NH4]+ 230.070623 162.3
[M+K]+ 250.999958 150.0
[M+H-H2O]+ 195.034060 137.5
[M+HCOO]- 257.035001 163.3
[M+CH3COO]- 271.050651 186.7
[M+Na-2H]- 233.011466 145.4
[M]+ 212.03625142 145.1
[M]- 212.03734858 145.1
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.