CID 100927765

Lepidine c

Structural Information

Molecular Formula
C21H20N4O2
SMILES
COC1=CC(=C(C=C1)OC2=CC=CC(=C2)CC3=NC=CN3)CC4=NC=CN4
InChI
InChI=1S/C21H20N4O2/c1-26-17-5-6-19(16(13-17)14-21-24-9-10-25-21)27-18-4-2-3-15(11-18)12-20-22-7-8-23-20/h2-11,13H,12,14H2,1H3,(H,22,23)(H,24,25)
InChIKey
GTJSRUGILPIENS-UHFFFAOYSA-N
Compound name
2-[[3-[2-(1H-imidazol-2-ylmethyl)-4-methoxyphenoxy]phenyl]methyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
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

No patent data available for this compound.