CID 3044423

Morpholine, 4-(4-chloro-6-((1-methyl-4-piperidinyl)oxy)-5-(methylthio)-2-pyrimidinyl)-

Structural Information

Molecular Formula
C15H23ClN4O2S
SMILES
CN1CCC(CC1)OC2=C(C(=NC(=N2)N3CCOCC3)Cl)SC
InChI
InChI=1S/C15H23ClN4O2S/c1-19-5-3-11(4-6-19)22-14-12(23-2)13(16)17-15(18-14)20-7-9-21-10-8-20/h11H,3-10H2,1-2H3
InChIKey
UGVURAZZFLZXRY-UHFFFAOYSA-N
Compound name
4-[4-chloro-6-(1-methylpiperidin-4-yl)oxy-5-methylsulfanylpyrimidin-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.12302 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.13030 183.0
[M+Na]+ 381.11224 188.8
[M-H]- 357.11574 186.5
[M+NH4]+ 376.15684 190.0
[M+K]+ 397.08618 184.4
[M+H-H2O]+ 341.12028 172.2
[M+HCOO]- 403.12122 184.4
[M+CH3COO]- 417.13687 190.4
[M+Na-2H]- 379.09769 181.0
[M]+ 358.12247 182.1
[M]- 358.12357 182.1
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.