CID 3024453

Brn 5587025

Structural Information

Molecular Formula
C11H15N3O3S
SMILES
COC(=O)CSC1=NC=NC(=C1)N2CCOCC2
InChI
InChI=1S/C11H15N3O3S/c1-16-11(15)7-18-10-6-9(12-8-13-10)14-2-4-17-5-3-14/h6,8H,2-5,7H2,1H3
InChIKey
AOGPRKTUKUKIIV-UHFFFAOYSA-N
Compound name
methyl 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.0834 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09068 159.0
[M+Na]+ 292.07262 170.6
[M+NH4]+ 287.11722 165.5
[M+K]+ 308.04656 163.7
[M-H]- 268.07612 161.7
[M+Na-2H]- 290.05807 164.1
[M]+ 269.08285 161.7
[M]- 269.08395 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.