CID 210644

6',7'-dihydro-3',7'-dimethylspiro(cyclohexane-1,5'-(5h)thiazolo(3,2-a)pyrimidin)-7'-ol hcl

Structural Information

Molecular Formula
C13H20N2OS
SMILES
CC1=CSC2=NC(CC3(N12)CCCCC3)(C)O
InChI
InChI=1S/C13H20N2OS/c1-10-8-17-11-14-12(2,16)9-13(15(10)11)6-4-3-5-7-13/h8,16H,3-7,9H2,1-2H3
InChIKey
XGAXMHQQRSUJAG-UHFFFAOYSA-N
Compound name
3,7-dimethylspiro[6H-[1,3]thiazolo[3,2-a]pyrimidine-5,1'-cyclohexane]-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12964 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13692 156.6
[M+Na]+ 275.11886 164.5
[M-H]- 251.12236 158.7
[M+NH4]+ 270.16346 178.3
[M+K]+ 291.09280 160.5
[M+H-H2O]+ 235.12690 150.4
[M+HCOO]- 297.12784 166.0
[M+CH3COO]- 311.14349 167.4
[M+Na-2H]- 273.10431 159.2
[M]+ 252.12909 153.5
[M]- 252.13019 153.5
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.