CID 80885847

6-(methylsulfanyl)-n-propylpyrimidin-4-amine

Structural Information

Molecular Formula
C8H13N3S
SMILES
CCCNC1=CC(=NC=N1)SC
InChI
InChI=1S/C8H13N3S/c1-3-4-9-7-5-8(12-2)11-6-10-7/h5-6H,3-4H2,1-2H3,(H,9,10,11)
InChIKey
JJUXTOUUESRZPG-UHFFFAOYSA-N
Compound name
6-methylsulfanyl-N-propylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.08302 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09030 138.6
[M+Na]+ 206.07224 150.8
[M+NH4]+ 201.11684 147.1
[M+K]+ 222.04618 142.0
[M-H]- 182.07574 140.8
[M+Na-2H]- 204.05769 145.2
[M]+ 183.08247 141.4
[M]- 183.08357 141.4
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.