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 196.6
[M+Na]+ 431.16427 201.8
[M-H]- 407.16777 202.9
[M+NH4]+ 426.20887 206.9
[M+K]+ 447.13821 197.9
[M+H-H2O]+ 391.17231 186.8
[M+HCOO]- 453.17325 207.7
[M+CH3COO]- 467.18890 235.7
[M+Na-2H]- 429.14972 194.3
[M]+ 408.17450 205.6
[M]- 408.17560 205.6
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.