CID 368990

127192-72-7

Structural Information

Molecular Formula
C23H19N3O2
SMILES
C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)OCCO
InChI
InChI=1S/C23H19N3O2/c27-13-14-28-19-9-7-17(8-10-19)18-15-22(20-5-1-3-11-24-20)26-23(16-18)21-6-2-4-12-25-21/h1-12,15-16,27H,13-14H2
InChIKey
ITTHDGHSDFMYOE-UHFFFAOYSA-N
Compound name
2-[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

369.14774 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15502 190.6
[M+Na]+ 392.13696 197.6
[M-H]- 368.14046 197.5
[M+NH4]+ 387.18156 196.6
[M+K]+ 408.11090 189.7
[M+H-H2O]+ 352.14500 177.2
[M+HCOO]- 414.14594 208.5
[M+CH3COO]- 428.16159 199.0
[M+Na-2H]- 390.12241 196.0
[M]+ 369.14719 190.2
[M]- 369.14829 190.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe