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]+ 184.090296 137.4
[M+Na]+ 206.072238 145.8
[M-H]- 182.075744 138.6
[M+NH4]+ 201.116843 155.3
[M+K]+ 222.046178 142.6
[M+H-H2O]+ 166.080280 130.1
[M+HCOO]- 228.081221 155.4
[M+CH3COO]- 242.096871 183.4
[M+Na-2H]- 204.057686 142.4
[M]+ 183.08247142 139.7
[M]- 183.08356858 139.7
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.