CID 3044427

2-propanamine, n-(1-methylethyl)-n-(2-((6-((1-methyl-4-piperidinyl)oxy)-5-(methylthio)-2-(4-morpholinyl)-4-pyrimidinyl)oxy)ethyl)-, hydrobromide, hydrate (1:2:2)

Structural Information

Molecular Formula
C23H41N5O3S
SMILES
CC(C)N(CCOC1=C(C(=NC(=N1)N2CCOCC2)OC3CCN(CC3)C)SC)C(C)C
InChI
InChI=1S/C23H41N5O3S/c1-17(2)28(18(3)4)13-16-30-21-20(32-6)22(31-19-7-9-26(5)10-8-19)25-23(24-21)27-11-14-29-15-12-27/h17-19H,7-16H2,1-6H3
InChIKey
RDRVACVIPHRMSI-UHFFFAOYSA-N
Compound name
N-[2-[6-(1-methylpiperidin-4-yl)oxy-5-methylsulfanyl-2-morpholin-4-ylpyrimidin-4-yl]oxyethyl]-N-propan-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.293 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.30028 213.2
[M+Na]+ 490.28222 221.7
[M+NH4]+ 485.32682 217.6
[M+K]+ 506.25616 215.3
[M-H]- 466.28572 217.5
[M+Na-2H]- 488.26767 215.9
[M]+ 467.29245 215.8
[M]- 467.29355 215.8
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.