CID 16076209

921604-59-3

Structural Information

Molecular Formula
C22H24FN3O
SMILES
CCCC1=CC(=NC=N1)NC(CC)C2=CC=C(C=C2)OC3=CC=C(C=C3)F
InChI
InChI=1S/C22H24FN3O/c1-3-5-18-14-22(25-15-24-18)26-21(4-2)16-6-10-19(11-7-16)27-20-12-8-17(23)9-13-20/h6-15,21H,3-5H2,1-2H3,(H,24,25,26)
InChIKey
RYUVDYSKWRYUNB-UHFFFAOYSA-N
Compound name
N-[1-[4-(4-fluorophenoxy)phenyl]propyl]-6-propylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.19034 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.19762 189.9
[M+Na]+ 388.17956 195.8
[M-H]- 364.18306 195.0
[M+NH4]+ 383.22416 198.7
[M+K]+ 404.15350 189.2
[M+H-H2O]+ 348.18760 177.2
[M+HCOO]- 410.18854 209.1
[M+CH3COO]- 424.20419 220.8
[M+Na-2H]- 386.16501 192.8
[M]+ 365.18979 190.1
[M]- 365.19089 190.1
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

No patent data available for this compound.