CID 4088661

2-(2-(octyloxy)phenyl)-1,4,5,6-tetrahydropyrimidin-3-ium bromide

Structural Information

Molecular Formula
C18H28N2O
SMILES
CCCCCCCCOC1=CC=CC=C1C2=NCCCN2
InChI
InChI=1S/C18H28N2O/c1-2-3-4-5-6-9-15-21-17-12-8-7-11-16(17)18-19-13-10-14-20-18/h7-8,11-12H,2-6,9-10,13-15H2,1H3,(H,19,20)
InChIKey
CBXKQQGNDASEGA-UHFFFAOYSA-N
Compound name
2-(2-octoxyphenyl)-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.22015 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.22743 174.3
[M+Na]+ 311.20937 186.5
[M+NH4]+ 306.25397 181.5
[M+K]+ 327.18331 177.6
[M-H]- 287.21287 177.2
[M+Na-2H]- 309.19482 180.9
[M]+ 288.21960 176.8
[M]- 288.22070 176.8
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.