CID 3074006

Pyrimidine, 4-methyl-2-((1-methylethyl)thio)-6-(1-piperidinyl)-

Structural Information

Molecular Formula
C13H21N3S
SMILES
CC1=CC(=NC(=N1)SC(C)C)N2CCCCC2
InChI
InChI=1S/C13H21N3S/c1-10(2)17-13-14-11(3)9-12(15-13)16-7-5-4-6-8-16/h9-10H,4-8H2,1-3H3
InChIKey
PNDQFQDURLQLTD-UHFFFAOYSA-N
Compound name
4-methyl-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.14561 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15289 158.2
[M+Na]+ 274.13483 164.4
[M-H]- 250.13833 160.2
[M+NH4]+ 269.17943 172.0
[M+K]+ 290.10877 160.4
[M+H-H2O]+ 234.14287 149.3
[M+HCOO]- 296.14381 168.7
[M+CH3COO]- 310.15946 195.0
[M+Na-2H]- 272.12028 158.2
[M]+ 251.14506 156.7
[M]- 251.14616 156.7
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.