CID 1822523

4,5-dihydro-2-(3-((1,1'-biphenyl)-2-yloxy)propyl)-1h-imidazole (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C18H20N2O
SMILES
C1CN=C(N1)CCCOC2=CC=CC=C2C3=CC=CC=C3
InChI
InChI=1S/C18H20N2O/c1-2-7-15(8-3-1)16-9-4-5-10-17(16)21-14-6-11-18-19-12-13-20-18/h1-5,7-10H,6,11-14H2,(H,19,20)
InChIKey
PJZVKROJSJCOQU-UHFFFAOYSA-N
Compound name
2-[3-(2-phenylphenoxy)propyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.15756 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 166.1
[M+Na]+ 303.14678 171.5
[M-H]- 279.15028 171.0
[M+NH4]+ 298.19138 179.6
[M+K]+ 319.12072 165.7
[M+H-H2O]+ 263.15482 156.0
[M+HCOO]- 325.15576 185.9
[M+CH3COO]- 339.17141 176.3
[M+Na-2H]- 301.13223 169.5
[M]+ 280.15701 164.1
[M]- 280.15811 164.1
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

patents stripe