CID 3044470

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

Structural Information

Molecular Formula
C21H35N5O3S
SMILES
CN1CCC(CC1)OC2=C(C(=NC(=N2)N3CCOCC3)OC4CCN(CC4)C)SC
InChI
InChI=1S/C21H35N5O3S/c1-24-8-4-16(5-9-24)28-19-18(30-3)20(29-17-6-10-25(2)11-7-17)23-21(22-19)26-12-14-27-15-13-26/h16-17H,4-15H2,1-3H3
InChIKey
RJITVSJCZOKORQ-UHFFFAOYSA-N
Compound name
4-[4,6-bis[(1-methylpiperidin-4-yl)oxy]-5-methylsulfanylpyrimidin-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.24606 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.25334 208.9
[M+Na]+ 460.23528 210.6
[M-H]- 436.23878 212.7
[M+NH4]+ 455.27988 209.7
[M+K]+ 476.20922 206.3
[M+H-H2O]+ 420.24332 195.3
[M+HCOO]- 482.24426 208.9
[M+CH3COO]- 496.25991 212.7
[M+Na-2H]- 458.22073 203.3
[M]+ 437.24551 203.6
[M]- 437.24661 203.6
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.