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 153.7
[M+Na]+ 262.09846 161.5
[M-H]- 238.10196 153.5
[M+NH4]+ 257.14306 166.7
[M+K]+ 278.07240 154.8
[M+H-H2O]+ 222.10650 145.9
[M+HCOO]- 284.10744 163.3
[M+CH3COO]- 298.12309 163.4
[M+Na-2H]- 260.08391 154.1
[M]+ 239.10869 148.8
[M]- 239.10979 148.8
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.