CID 2740174

5-chloro-6-methyl-n-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine

Structural Information

Molecular Formula
C18H17ClN4
SMILES
CC1=C(C(=NC(=N1)C2=CC=CC=N2)NCCC3=CC=CC=C3)Cl
InChI
InChI=1S/C18H17ClN4/c1-13-16(19)18(21-12-10-14-7-3-2-4-8-14)23-17(22-13)15-9-5-6-11-20-15/h2-9,11H,10,12H2,1H3,(H,21,22,23)
InChIKey
HIUOABSWQSUEGK-UHFFFAOYSA-N
Compound name
5-chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

4
Patents

324.11417 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.12145 176.6
[M+Na]+ 347.10339 185.3
[M-H]- 323.10689 181.8
[M+NH4]+ 342.14799 186.8
[M+K]+ 363.07733 177.2
[M+H-H2O]+ 307.11143 165.0
[M+HCOO]- 369.11237 192.9
[M+CH3COO]- 383.12802 186.5
[M+Na-2H]- 345.08884 182.8
[M]+ 324.11362 178.3
[M]- 324.11472 178.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe