CID 3044425

57259-21-9

Structural Information

Molecular Formula
C16H28N4O2S
SMILES
CCN(CC)C1=NC(=C(C(=N1)OC2CCN(CC2)C)SC)OC
InChI
InChI=1S/C16H28N4O2S/c1-6-20(7-2)16-17-14(21-4)13(23-5)15(18-16)22-12-8-10-19(3)11-9-12/h12H,6-11H2,1-5H3
InChIKey
LJTKQNRQZGXWKM-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-methoxy-6-(1-methylpiperidin-4-yl)oxy-5-methylsulfanylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1933 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.20058 181.7
[M+Na]+ 363.18252 187.3
[M-H]- 339.18602 185.0
[M+NH4]+ 358.22712 192.4
[M+K]+ 379.15646 184.3
[M+H-H2O]+ 323.19056 171.6
[M+HCOO]- 385.19150 193.9
[M+CH3COO]- 399.20715 217.7
[M+Na-2H]- 361.16797 180.2
[M]+ 340.19275 185.8
[M]- 340.19385 185.8
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.