CID 10566365

Chembl167985

Structural Information

Molecular Formula
C15H17N3O2S
SMILES
C1CC(CCC1C(=O)NC2=NC(=NS2)C3=CC=CC=C3)O
InChI
InChI=1S/C15H17N3O2S/c19-12-8-6-11(7-9-12)14(20)17-15-16-13(18-21-15)10-4-2-1-3-5-10/h1-5,11-12,19H,6-9H2,(H,16,17,18,20)
InChIKey
HIYKPJVEMCGNEK-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.10416 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11144 167.8
[M+Na]+ 326.09338 173.2
[M-H]- 302.09688 173.4
[M+NH4]+ 321.13798 181.0
[M+K]+ 342.06732 168.3
[M+H-H2O]+ 286.10142 159.2
[M+HCOO]- 348.10236 181.5
[M+CH3COO]- 362.11801 177.4
[M+Na-2H]- 324.07883 167.4
[M]+ 303.10361 164.5
[M]- 303.10471 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.