CID 4084303

Brn 4516161

Structural Information

Molecular Formula
C13H17N3O2S
SMILES
C1CCC(CC1)NC(=O)C2=CN=C3N(C2=O)CCS3
InChI
InChI=1S/C13H17N3O2S/c17-11(15-9-4-2-1-3-5-9)10-8-14-13-16(12(10)18)6-7-19-13/h8-9H,1-7H2,(H,15,17)
InChIKey
PTFZHUABVRKKRD-UHFFFAOYSA-N
Compound name
N-cyclohexyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

279.10416 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11144 161.2
[M+Na]+ 302.09338 167.1
[M-H]- 278.09688 165.4
[M+NH4]+ 297.13798 177.2
[M+K]+ 318.06732 163.2
[M+H-H2O]+ 262.10142 153.4
[M+HCOO]- 324.10236 174.1
[M+CH3COO]- 338.11801 171.4
[M+Na-2H]- 300.07883 161.8
[M]+ 279.10361 158.4
[M]- 279.10471 158.4
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.