CID 723195

Brn 4501885

Structural Information

Molecular Formula
C11H15N3O3S
SMILES
CC1=CC(=NC(=N1)SCC(=O)O)N2CCOCC2
InChI
InChI=1S/C11H15N3O3S/c1-8-6-9(14-2-4-17-5-3-14)13-11(12-8)18-7-10(15)16/h6H,2-5,7H2,1H3,(H,15,16)
InChIKey
HPHQJXBLTTXGLW-UHFFFAOYSA-N
Compound name
2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid
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 159.6
[M+Na]+ 292.07262 171.0
[M+NH4]+ 287.11722 165.7
[M+K]+ 308.04656 164.6
[M-H]- 268.07612 161.8
[M+Na-2H]- 290.05807 163.8
[M]+ 269.08285 162.1
[M]- 269.08395 162.1
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.