CID 3044441

2-pyrimidinamine, 4-(2-(bis(1-methylethyl)amino)ethoxy)-6-chloro-n-methyl-5-(methylthio)-n-phenyl-, monohydrobromide

Structural Information

Molecular Formula
C20H29ClN4OS
SMILES
CC(C)N(CCOC1=C(C(=NC(=N1)N(C)C2=CC=CC=C2)Cl)SC)C(C)C
InChI
InChI=1S/C20H29ClN4OS/c1-14(2)25(15(3)4)12-13-26-19-17(27-6)18(21)22-20(23-19)24(5)16-10-8-7-9-11-16/h7-11,14-15H,12-13H2,1-6H3
InChIKey
WERYHLOYWONHNL-UHFFFAOYSA-N
Compound name
4-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]-N-methyl-5-methylsulfanyl-N-phenylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.17505 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.18233 197.6
[M+Na]+ 431.16427 209.7
[M+NH4]+ 426.20887 204.6
[M+K]+ 447.13821 200.8
[M-H]- 407.16777 202.2
[M+Na-2H]- 429.14972 204.4
[M]+ 408.17450 201.4
[M]- 408.17560 201.4
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.

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No patent data available for this compound.