CID 16076210

Chembl429812

Structural Information

Molecular Formula
C21H22FN3O2
SMILES
CCC(C1=CC=C(C=C1)OC2=CC=C(C=C2)F)NC3=NC=NC(=C3)COC
InChI
InChI=1S/C21H22FN3O2/c1-3-20(25-21-12-17(13-26-2)23-14-24-21)15-4-8-18(9-5-15)27-19-10-6-16(22)7-11-19/h4-12,14,20H,3,13H2,1-2H3,(H,23,24,25)
InChIKey
MFHUCMNYSLQDGV-UHFFFAOYSA-N
Compound name
N-[1-[4-(4-fluorophenoxy)phenyl]propyl]-6-(methoxymethyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.16962 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.17690 188.5
[M+Na]+ 390.15884 194.6
[M-H]- 366.16234 193.8
[M+NH4]+ 385.20344 197.1
[M+K]+ 406.13278 189.0
[M+H-H2O]+ 350.16688 175.7
[M+HCOO]- 412.16782 208.2
[M+CH3COO]- 426.18347 220.0
[M+Na-2H]- 388.14429 191.9
[M]+ 367.16907 189.7
[M]- 367.17017 189.7
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.