CID 103727

2-(4-methoxy-alpha-phenoxybenzyl)-3,4,5,6-tetrahydropyrimidine

Structural Information

Molecular Formula
C18H20N2O2
SMILES
COC1=CC=C(C=C1)C(C2=NCCCN2)OC3=CC=CC=C3
InChI
InChI=1S/C18H20N2O2/c1-21-15-10-8-14(9-11-15)17(18-19-12-5-13-20-18)22-16-6-3-2-4-7-16/h2-4,6-11,17H,5,12-13H2,1H3,(H,19,20)
InChIKey
MZYHYIBCEPKOOT-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)-phenoxymethyl]-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.15247 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 170.0
[M+Na]+ 319.14169 174.0
[M-H]- 295.14519 174.4
[M+NH4]+ 314.18629 180.5
[M+K]+ 335.11563 169.1
[M+H-H2O]+ 279.14973 159.2
[M+HCOO]- 341.15067 186.5
[M+CH3COO]- 355.16632 179.0
[M+Na-2H]- 317.12714 174.1
[M]+ 296.15192 166.4
[M]- 296.15302 166.4
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.