CID 630929

4'-(4-methoxyphenyl)-2,2':6',2''-terpyridine

Structural Information

Molecular Formula
C22H17N3O
SMILES
COC1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC=CC=N3)C4=CC=CC=N4
InChI
InChI=1S/C22H17N3O/c1-26-18-10-8-16(9-11-18)17-14-21(19-6-2-4-12-23-19)25-22(15-17)20-7-3-5-13-24-20/h2-15H,1H3
InChIKey
QAEWAYWLMREGRA-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

339.13718 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.144456 183.7
[M+Na]+ 362.126398 191.8
[M-H]- 338.129904 192.0
[M+NH4]+ 357.171003 191.7
[M+K]+ 378.100338 184.2
[M+H-H2O]+ 322.134440 170.3
[M+HCOO]- 384.135381 203.3
[M+CH3COO]- 398.151031 193.3
[M+Na-2H]- 360.111846 189.9
[M]+ 339.13663142 183.4
[M]- 339.13772858 183.4
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