CID 146651362

Amelenodor

Structural Information

Molecular Formula
C24H21N3O3
SMILES
CC1=NC(=CC=C1)OC2=CC(=CC(=C2)OC3=CC=CC(=N3)C)OC4=CC=CC(=N4)C
InChI
InChI=1S/C24H21N3O3/c1-16-7-4-10-22(25-16)28-19-13-20(29-23-11-5-8-17(2)26-23)15-21(14-19)30-24-12-6-9-18(3)27-24/h4-15H,1-3H3
InChIKey
OPUQKVNCXCWRLR-UHFFFAOYSA-N
Compound name
2-[3,5-bis[(6-methylpyridin-2-yl)oxy]phenoxy]-6-methylpyridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

17
Patents

399.1583 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.16558 200.0
[M+Na]+ 422.14752 208.5
[M-H]- 398.15102 208.9
[M+NH4]+ 417.19212 205.9
[M+K]+ 438.12146 202.1
[M+H-H2O]+ 382.15556 185.9
[M+HCOO]- 444.15650 219.1
[M+CH3COO]- 458.17215 209.0
[M+Na-2H]- 420.13297 203.6
[M]+ 399.15775 203.8
[M]- 399.15885 203.8
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