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-yl-4-pyridinyl)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]+ 426.217606 207.5
[M+Na]+ 448.199548 212.5
[M-H]- 424.203054 213.5
[M+NH4]+ 443.244153 211.1
[M+K]+ 464.173488 203.8
[M+H-H2O]+ 408.207590 193.1
[M+HCOO]- 470.208531 224.0
[M+CH3COO]- 484.224181 214.0
[M+Na-2H]- 446.184996 210.8
[M]+ 425.20978142 208.2
[M]- 425.21087858 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.