CID 4564402

Skf 96365

Structural Information

Molecular Formula
C22H26N2O3
SMILES
COC1=CC=C(C=C1)CCCOC2=C(C=CC(=C2)CCN3C=CN=C3)OC
InChI
InChI=1S/C22H26N2O3/c1-25-20-8-5-18(6-9-20)4-3-15-27-22-16-19(7-10-21(22)26-2)11-13-24-14-12-23-17-24/h5-10,12,14,16-17H,3-4,11,13,15H2,1-2H3
InChIKey
FCBRFERWWOBAJC-UHFFFAOYSA-N
Compound name
1-[2-[4-methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

551
References

93
Patents

366.19434 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20162 189.5
[M+Na]+ 389.18356 196.1
[M-H]- 365.18706 196.3
[M+NH4]+ 384.22816 200.6
[M+K]+ 405.15750 191.3
[M+H-H2O]+ 349.19160 178.4
[M+HCOO]- 411.19254 211.1
[M+CH3COO]- 425.20819 216.2
[M+Na-2H]- 387.16901 190.7
[M]+ 366.19379 195.6
[M]- 366.19489 195.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe