CID 114301459

1500608-34-3

Structural Information

Molecular Formula
C11H16ClN3OS
SMILES
CC1=C(SN=N1)C(=O)NCC2CCCCC2Cl
InChI
InChI=1S/C11H16ClN3OS/c1-7-10(17-15-14-7)11(16)13-6-8-4-2-3-5-9(8)12/h8-9H,2-6H2,1H3,(H,13,16)
InChIKey
HEWFHLXWDITDDJ-UHFFFAOYSA-N
Compound name
N-[(2-chlorocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.07025 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07753 160.9
[M+Na]+ 296.05947 167.7
[M-H]- 272.06297 164.6
[M+NH4]+ 291.10407 177.4
[M+K]+ 312.03341 163.1
[M+H-H2O]+ 256.06751 153.6
[M+HCOO]- 318.06845 170.8
[M+CH3COO]- 332.08410 195.2
[M+Na-2H]- 294.04492 159.4
[M]+ 273.06970 160.8
[M]- 273.07080 160.8
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.