CID 55046

83546-47-8

Structural Information

Molecular Formula
C11H17N5OS2
SMILES
C1CN(CCC12SCCS2)C3=NC(=N)N(C(=C3)N)O
InChI
InChI=1S/C11H17N5OS2/c12-8-7-9(14-10(13)16(8)17)15-3-1-11(2-4-15)18-5-6-19-11/h7,13,17H,1-6,12H2
InChIKey
JBLVBLSCXLNIFX-UHFFFAOYSA-N
Compound name
6-(1,4-dithia-8-azaspiro[4.5]decan-8-yl)-3-hydroxy-2-iminopyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.08746 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09474 159.2
[M+Na]+ 322.07668 166.8
[M-H]- 298.08018 161.6
[M+NH4]+ 317.12128 173.9
[M+K]+ 338.05062 160.3
[M+H-H2O]+ 282.08472 152.6
[M+HCOO]- 344.08566 166.0
[M+CH3COO]- 358.10131 168.3
[M+Na-2H]- 320.06213 160.1
[M]+ 299.08691 153.1
[M]- 299.08801 153.1
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.