CID 45833762

Gsk2556286

Structural Information

Molecular Formula
C18H23N3O3
SMILES
CC1=C(C(=CC=C1)OC2CCN(CC2)CC3=CC(=O)NC(=O)N3)C
InChI
InChI=1S/C18H23N3O3/c1-12-4-3-5-16(13(12)2)24-15-6-8-21(9-7-15)11-14-10-17(22)20-18(23)19-14/h3-5,10,15H,6-9,11H2,1-2H3,(H2,19,20,22,23)
InChIKey
AZOFJHATIPDIER-UHFFFAOYSA-N
Compound name
6-[[4-(2,3-dimethylphenoxy)piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

20
Patents

329.17395 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.18123 180.2
[M+Na]+ 352.16317 194.2
[M+NH4]+ 347.20777 185.6
[M+K]+ 368.13711 187.3
[M-H]- 328.16667 183.2
[M+Na-2H]- 350.14862 186.8
[M]+ 329.17340 182.8
[M]- 329.17450 182.8
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

patents stripe