CID 131751423

100108-65-4

Structural Information

Molecular Formula
C21H20N4O2
SMILES
COC1=CC=CC(=C1OC2=CC=CC(=C2)CC3=NC=CN3)CC4=NC=CN4
InChI
InChI=1S/C21H20N4O2/c1-26-18-7-3-5-16(14-20-24-10-11-25-20)21(18)27-17-6-2-4-15(12-17)13-19-22-8-9-23-19/h2-12H,13-14H2,1H3,(H,22,23)(H,24,25)
InChIKey
YDQJXVYGARVLRT-UHFFFAOYSA-N
Compound name
2-[[3-[2-(1H-imidazol-2-ylmethyl)-6-methoxyphenoxy]phenyl]methyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1186
Patents

360.15863 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16591 186.5
[M+Na]+ 383.14785 201.8
[M+NH4]+ 378.19245 192.6
[M+K]+ 399.12179 197.7
[M-H]- 359.15135 191.3
[M+Na-2H]- 381.13330 197.0
[M]+ 360.15808 190.1
[M]- 360.15918 190.1
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