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]+ 315.150346 173.5
[M+Na]+ 337.132288 178.5
[M-H]- 313.135794 176.9
[M+NH4]+ 332.176893 183.5
[M+K]+ 353.106228 173.1
[M+H-H2O]+ 297.140330 161.8
[M+HCOO]- 359.141271 188.9
[M+CH3COO]- 373.156921 182.2
[M+Na-2H]- 335.117736 176.2
[M]+ 314.14252142 169.3
[M]- 314.14361858 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.