CID 6435707

Brn 5575268

Structural Information

Molecular Formula
C10H14N4O2S
SMILES
CCCCC1=NN=C(S1)NC(=O)/C=C/C(=O)N
InChI
InChI=1S/C10H14N4O2S/c1-2-3-4-9-13-14-10(17-9)12-8(16)6-5-7(11)15/h5-6H,2-4H2,1H3,(H2,11,15)(H,12,14,16)/b6-5+
InChIKey
HECVEDZOZQJAPQ-AATRIKPKSA-N
Compound name
(E)-N'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.08374 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09102 157.8
[M+Na]+ 277.07296 164.3
[M-H]- 253.07646 158.3
[M+NH4]+ 272.11756 173.5
[M+K]+ 293.04690 160.9
[M+H-H2O]+ 237.08100 149.8
[M+HCOO]- 299.08194 175.2
[M+CH3COO]- 313.09759 195.7
[M+Na-2H]- 275.05841 156.9
[M]+ 254.08319 159.1
[M]- 254.08429 159.1
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.