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 167.7
[M+Na]+ 326.09338 178.3
[M+NH4]+ 321.13798 175.2
[M+K]+ 342.06732 172.3
[M-H]- 302.09688 172.0
[M+Na-2H]- 324.07883 174.7
[M]+ 303.10361 170.6
[M]- 303.10471 170.6
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.