CID 100927766

Lepidine d

Structural Information

Molecular Formula
C20H18N4O2
SMILES
C1=CC(=CC(=C1)OC2=C(C=C(C=C2)O)CC3=NC=CN3)CC4=NC=CN4
InChI
InChI=1S/C20H18N4O2/c25-16-4-5-18(15(12-16)13-20-23-8-9-24-20)26-17-3-1-2-14(10-17)11-19-21-6-7-22-19/h1-10,12,25H,11,13H2,(H,21,22)(H,23,24)
InChIKey
KDBJPLXCURQBOE-UHFFFAOYSA-N
Compound name
3-(1H-imidazol-2-ylmethyl)-4-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

346.14297 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15025 177.8
[M+Na]+ 369.13219 186.0
[M-H]- 345.13569 183.0
[M+NH4]+ 364.17679 186.5
[M+K]+ 385.10613 178.0
[M+H-H2O]+ 329.14023 167.0
[M+HCOO]- 391.14117 196.2
[M+CH3COO]- 405.15682 187.1
[M+Na-2H]- 367.11764 179.3
[M]+ 346.14242 177.4
[M]- 346.14352 177.4
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.