CID 24845098

89665-73-6

Structural Information

Molecular Formula
C11H17N3OS
SMILES
CC1CCCCN1CC2=CNC(=S)NC2=O
InChI
InChI=1S/C11H17N3OS/c1-8-4-2-3-5-14(8)7-9-6-12-11(16)13-10(9)15/h6,8H,2-5,7H2,1H3,(H2,12,13,15,16)
InChIKey
IKKGKUCPRBEPBO-UHFFFAOYSA-N
Compound name
5-[(2-methylpiperidin-1-yl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.10924 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11652 154.0
[M+Na]+ 262.09846 166.2
[M+NH4]+ 257.14306 160.9
[M+K]+ 278.07240 157.9
[M-H]- 238.10196 155.4
[M+Na-2H]- 260.08391 158.9
[M]+ 239.10869 156.3
[M]- 239.10979 156.3
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.