CID 3067460

Spiro(cyclohexane-1,7'-(7h)thiazolo(3,2-a)pyrimidin)-5'(6'h)-one, 2',3'-dihydro-

Structural Information

Molecular Formula
C11H16N2OS
SMILES
C1CCC2(CC1)CC(=O)N3CCSC3=N2
InChI
InChI=1S/C11H16N2OS/c14-9-8-11(4-2-1-3-5-11)12-10-13(9)6-7-15-10/h1-8H2
InChIKey
NQTMNEPPVJVILS-UHFFFAOYSA-N
Compound name
spiro[3,6-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-7,1'-cyclohexane]-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

224.09833 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10561 149.6
[M+Na]+ 247.08755 156.1
[M-H]- 223.09105 152.4
[M+NH4]+ 242.13215 170.6
[M+K]+ 263.06149 153.0
[M+H-H2O]+ 207.09559 142.6
[M+HCOO]- 269.09653 159.9
[M+CH3COO]- 283.11218 160.5
[M+Na-2H]- 245.07300 151.6
[M]+ 224.09778 144.6
[M]- 224.09888 144.6
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

patents stripe