CID 3021602

Brn 5566330

Structural Information

Molecular Formula
C16H27N3OS
SMILES
CC1=CC(=NC(=N1)SCCCCCCN2CCOCC2)C
InChI
InChI=1S/C16H27N3OS/c1-14-13-15(2)18-16(17-14)21-12-6-4-3-5-7-19-8-10-20-11-9-19/h13H,3-12H2,1-2H3
InChIKey
BCWRLCACOVFLOC-UHFFFAOYSA-N
Compound name
4-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.18747 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19475 175.6
[M+Na]+ 332.17669 187.9
[M+NH4]+ 327.22129 182.9
[M+K]+ 348.15063 178.1
[M-H]- 308.18019 179.6
[M+Na-2H]- 330.16214 180.4
[M]+ 309.18692 179.0
[M]- 309.18802 179.0
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.