CID 368991

Nsc640500

Structural Information

Molecular Formula
C27H27N3O2
SMILES
C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)OCCCCCCO
InChI
InChI=1S/C27H27N3O2/c31-17-7-1-2-8-18-32-23-13-11-21(12-14-23)22-19-26(24-9-3-5-15-28-24)30-27(20-22)25-10-4-6-16-29-25/h3-6,9-16,19-20,31H,1-2,7-8,17-18H2
InChIKey
VWHWBZIOTDAZAF-UHFFFAOYSA-N
Compound name
6-[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenoxy]hexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.21033 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.21761 207.5
[M+Na]+ 448.19955 212.5
[M-H]- 424.20305 213.5
[M+NH4]+ 443.24415 211.1
[M+K]+ 464.17349 203.8
[M+H-H2O]+ 408.20759 193.1
[M+HCOO]- 470.20853 224.0
[M+CH3COO]- 484.22418 214.0
[M+Na-2H]- 446.18500 210.8
[M]+ 425.20978 208.2
[M]- 425.21088 208.2
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

No patent data available for this compound.