CID 210644

21457-23-8

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 157.2
[M+Na]+ 275.11886 167.6
[M+NH4]+ 270.16346 169.4
[M+K]+ 291.09280 157.2
[M-H]- 251.12236 159.5
[M+Na-2H]- 273.10431 163.6
[M]+ 252.12909 160.1
[M]- 252.13019 160.1
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.