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 153.5
[M+Na]+ 263.05732 160.5
[M-H]- 239.06082 154.3
[M+NH4]+ 258.10192 169.8
[M+K]+ 279.03126 157.3
[M+H-H2O]+ 223.06536 145.7
[M+HCOO]- 285.06630 171.2
[M+CH3COO]- 299.08195 192.7
[M+Na-2H]- 261.04277 153.1
[M]+ 240.06755 154.4
[M]- 240.06865 154.4
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.