CID 16076208

921604-58-2

Structural Information

Molecular Formula
C20H20FN3O
SMILES
CCC(C1=CC=C(C=C1)OC2=CC=C(C=C2)F)NC3=NC=NC(=C3)C
InChI
InChI=1S/C20H20FN3O/c1-3-19(24-20-12-14(2)22-13-23-20)15-4-8-17(9-5-15)25-18-10-6-16(21)7-11-18/h4-13,19H,3H2,1-2H3,(H,22,23,24)
InChIKey
XOBOSWIBHWVOCE-UHFFFAOYSA-N
Compound name
N-[1-[4-(4-fluorophenoxy)phenyl]propyl]-6-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.15903 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.16631 181.0
[M+Na]+ 360.14825 187.8
[M-H]- 336.15175 186.5
[M+NH4]+ 355.19285 191.0
[M+K]+ 376.12219 181.7
[M+H-H2O]+ 320.15629 168.8
[M+HCOO]- 382.15723 200.9
[M+CH3COO]- 396.17288 190.5
[M+Na-2H]- 358.13370 184.9
[M]+ 337.15848 180.6
[M]- 337.15958 180.6
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.