CID 1822523

1h-imidazole, 4,5-dihydro-2-(3-((1,1'-biphenyl)-2-yloxy)propyl)-, (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]+ 281.164836 166.1
[M+Na]+ 303.146778 171.5
[M-H]- 279.150284 171.0
[M+NH4]+ 298.191383 179.6
[M+K]+ 319.120718 165.7
[M+H-H2O]+ 263.154820 156.0
[M+HCOO]- 325.155761 185.9
[M+CH3COO]- 339.171411 176.3
[M+Na-2H]- 301.132226 169.5
[M]+ 280.15701142 164.1
[M]- 280.15810858 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