CID 3044416

Pyrimidine, 4,6-bis((1-methyl-4-piperidinyl)oxy)-5-(methylthio)-2-(1-piperidinyl)-, dihydrobromide

Structural Information

Molecular Formula
C22H37N5O2S
SMILES
CN1CCC(CC1)OC2=C(C(=NC(=N2)N3CCCCC3)OC4CCN(CC4)C)SC
InChI
InChI=1S/C22H37N5O2S/c1-25-13-7-17(8-14-25)28-20-19(30-3)21(29-18-9-15-26(2)16-10-18)24-22(23-20)27-11-5-4-6-12-27/h17-18H,4-16H2,1-3H3
InChIKey
LNQVMDFZDUASGY-UHFFFAOYSA-N
Compound name
4,6-bis[(1-methylpiperidin-4-yl)oxy]-5-methylsulfanyl-2-piperidin-1-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.26678 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.27406 207.1
[M+Na]+ 458.25600 218.2
[M+NH4]+ 453.30060 213.1
[M+K]+ 474.22994 209.1
[M-H]- 434.25950 212.1
[M+Na-2H]- 456.24145 212.1
[M]+ 435.26623 210.3
[M]- 435.26733 210.3
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.