CID 100927767

Lepidine e

Structural Information

Molecular Formula
C20H18N4O2
SMILES
C1=CC(=CC(=C1)OC2=C(C=CC(=C2)CC3=NC=CN3)O)CC4=NC=CN4
InChI
InChI=1S/C20H18N4O2/c25-17-5-4-15(13-20-23-8-9-24-20)11-18(17)26-16-3-1-2-14(10-16)12-19-21-6-7-22-19/h1-11,25H,12-13H2,(H,21,22)(H,23,24)
InChIKey
TYCLBPSZSGTWCX-UHFFFAOYSA-N
Compound name
4-(1H-imidazol-2-ylmethyl)-2-[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 182.6
[M+Na]+ 369.13219 197.5
[M+NH4]+ 364.17679 188.5
[M+K]+ 385.10613 193.9
[M-H]- 345.13569 186.9
[M+Na-2H]- 367.11764 192.7
[M]+ 346.14242 185.9
[M]- 346.14352 185.9
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.