CID 3044471

2-pyrimidinamine, 4,6-bis(1-methyl-4-piperidinyl)oxy)-n-(3,4-dimethoxyphenyl)-n-methyl-5-(methylthio)-

Structural Information

Molecular Formula
C26H39N5O4S
SMILES
CN1CCC(CC1)OC2=C(C(=NC(=N2)N(C)C3=CC(=C(C=C3)OC)OC)OC4CCN(CC4)C)SC
InChI
InChI=1S/C26H39N5O4S/c1-29-13-9-19(10-14-29)34-24-23(36-6)25(35-20-11-15-30(2)16-12-20)28-26(27-24)31(3)18-7-8-21(32-4)22(17-18)33-5/h7-8,17,19-20H,9-16H2,1-6H3
InChIKey
HROIHJPJILKZAP-UHFFFAOYSA-N
Compound name
N-(3,4-dimethoxyphenyl)-N-methyl-4,6-bis[(1-methylpiperidin-4-yl)oxy]-5-methylsulfanylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.2723 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.27958 225.4
[M+Na]+ 540.26152 237.2
[M+NH4]+ 535.30612 230.3
[M+K]+ 556.23546 228.8
[M-H]- 516.26502 231.4
[M+Na-2H]- 538.24697 231.5
[M]+ 517.27175 229.1
[M]- 517.27285 229.1
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.