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 182.4
[M+Na]+ 383.14785 190.6
[M-H]- 359.15135 188.6
[M+NH4]+ 378.19245 191.1
[M+K]+ 399.12179 183.1
[M+H-H2O]+ 343.15589 171.0
[M+HCOO]- 405.15683 201.9
[M+CH3COO]- 419.17248 191.9
[M+Na-2H]- 381.13330 183.6
[M]+ 360.15808 183.9
[M]- 360.15918 183.9
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