CID 103706

52963-62-9

Structural Information

Molecular Formula
C18H19FN2O2
SMILES
COC1=C(C=C(C=C1)C(C2=NCCCN2)OC3=CC=CC=C3)F
InChI
InChI=1S/C18H19FN2O2/c1-22-16-9-8-13(12-15(16)19)17(18-20-10-5-11-21-18)23-14-6-3-2-4-7-14/h2-4,6-9,12,17H,5,10-11H2,1H3,(H,20,21)
InChIKey
RPGDLEXGKWFLOV-UHFFFAOYSA-N
Compound name
2-[(3-fluoro-4-methoxyphenyl)-phenoxymethyl]-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.14307 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15035 173.5
[M+Na]+ 337.13229 178.5
[M-H]- 313.13579 176.9
[M+NH4]+ 332.17689 183.5
[M+K]+ 353.10623 173.1
[M+H-H2O]+ 297.14033 161.8
[M+HCOO]- 359.14127 188.9
[M+CH3COO]- 373.15692 182.2
[M+Na-2H]- 335.11774 176.2
[M]+ 314.14252 169.3
[M]- 314.14362 169.3
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.