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

1
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

patents stripe