CID 79517062

N-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide

Structural Information

Molecular Formula
C9H14N4OS
SMILES
C1CCC(CC1)C(=O)NC2=NN=C(S2)N
InChI
InChI=1S/C9H14N4OS/c10-8-12-13-9(15-8)11-7(14)6-4-2-1-3-5-6/h6H,1-5H2,(H2,10,12)(H,11,13,14)
InChIKey
ALSYSZCTMSFEFN-UHFFFAOYSA-N
Compound name
N-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.08884 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09612 148.0
[M+Na]+ 249.07806 153.4
[M-H]- 225.08156 151.2
[M+NH4]+ 244.12266 164.6
[M+K]+ 265.05200 150.4
[M+H-H2O]+ 209.08610 140.0
[M+HCOO]- 271.08704 163.7
[M+CH3COO]- 285.10269 188.8
[M+Na-2H]- 247.06351 148.6
[M]+ 226.08829 143.4
[M]- 226.08939 143.4
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.