CID 3044422

2-pyrimidinamine, 4-chloro-n,n-diethyl-6-((1-methyl-4-piperidinyl)oxy)-5-(methylthio)-, monohydrobromide

Structural Information

Molecular Formula
C15H25ClN4OS
SMILES
CCN(CC)C1=NC(=C(C(=N1)Cl)SC)OC2CCN(CC2)C
InChI
InChI=1S/C15H25ClN4OS/c1-5-20(6-2)15-17-13(16)12(22-4)14(18-15)21-11-7-9-19(3)10-8-11/h11H,5-10H2,1-4H3
InChIKey
UUUKPBZXOOALJD-UHFFFAOYSA-N
Compound name
4-chloro-N,N-diethyl-6-(1-methylpiperidin-4-yl)oxy-5-methylsulfanylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.14377 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.15105 179.4
[M+Na]+ 367.13299 186.1
[M-H]- 343.13649 182.7
[M+NH4]+ 362.17759 190.9
[M+K]+ 383.10693 181.4
[M+H-H2O]+ 327.14103 170.1
[M+HCOO]- 389.14197 187.0
[M+CH3COO]- 403.15762 216.2
[M+Na-2H]- 365.11844 177.7
[M]+ 344.14322 183.6
[M]- 344.14432 183.6
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.