CID 104956

130495-35-1

Structural Information

Molecular Formula
C22H26N2O3
SMILES
COC1=CC=C(C=C1)CCCOC(CN2C=CN=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H26N2O3/c1-25-20-9-5-18(6-10-20)4-3-15-27-22(16-24-14-13-23-17-24)19-7-11-21(26-2)12-8-19/h5-14,17,22H,3-4,15-16H2,1-2H3
InChIKey
HLMBXBGDBBCYII-UHFFFAOYSA-N
Compound name
1-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

589
References

317
Patents

366.19434 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.201616 189.5
[M+Na]+ 389.183558 194.8
[M-H]- 365.187064 196.0
[M+NH4]+ 384.228163 200.2
[M+K]+ 405.157498 190.5
[M+H-H2O]+ 349.191600 178.3
[M+HCOO]- 411.192541 210.1
[M+CH3COO]- 425.208191 215.9
[M+Na-2H]- 387.169006 190.3
[M]+ 366.19379142 194.6
[M]- 366.19488858 194.6
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