CID 6435708

Brn 5559391

Structural Information

Molecular Formula
C9H12N4O2S
SMILES
CCCC1=NN=C(S1)NC(=O)/C=C/C(=O)N
InChI
InChI=1S/C9H12N4O2S/c1-2-3-8-12-13-9(16-8)11-7(15)5-4-6(10)14/h4-5H,2-3H2,1H3,(H2,10,14)(H,11,13,15)/b5-4+
InChIKey
HCVQBBYDYDBGKQ-SNAWJCMRSA-N
Compound name
(E)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)but-2-enediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.0681 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07538 154.5
[M+Na]+ 263.05732 161.2
[M+NH4]+ 258.10192 159.4
[M+K]+ 279.03126 157.5
[M-H]- 239.06082 153.4
[M+Na-2H]- 261.04277 156.2
[M]+ 240.06755 154.9
[M]- 240.06865 154.9
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.