CID 3044408

Osmium(2+), bis(2,2'-bipyridine-n,n')(mu-(1,4-bis((2,2':6',2''-terpyridin)-6-ylmethyl)-1,4-cyclohexanediol-n(sup 1),n(sup 1'),n(sup 1''):n(sup 4),n(sup 4'),n(sup 4''))-dichlorodi-, dichloride

Structural Information

Molecular Formula
C38H34N6O2
SMILES
C1CC(CCC1(CC2=NC(=CC=C2)C3=CC=CC(=N3)C4=CC=CC=N4)O)(CC5=NC(=CC=C5)C6=CC=CC(=N6)C7=CC=CC=N7)O
InChI
InChI=1S/C38H34N6O2/c45-37(25-27-9-5-13-33(41-27)35-17-7-15-31(43-35)29-11-1-3-23-39-29)19-21-38(46,22-20-37)26-28-10-6-14-34(42-28)36-18-8-16-32(44-36)30-12-2-4-24-40-30/h1-18,23-24,45-46H,19-22,25-26H2
InChIKey
XYZJLDPBRQYPDV-UHFFFAOYSA-N
Compound name
1,4-bis[[6-(6-pyridin-2-ylpyridin-2-yl)pyridin-2-yl]methyl]cyclohexane-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.27435 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.28163 249.6
[M+Na]+ 629.26357 252.9
[M-H]- 605.26707 258.0
[M+NH4]+ 624.30817 242.9
[M+K]+ 645.23751 241.4
[M+H-H2O]+ 589.27161 227.5
[M+HCOO]- 651.27255 254.7
[M+CH3COO]- 665.28820 250.0
[M+Na-2H]- 627.24902 251.1
[M]+ 606.27380 241.8
[M]- 606.27490 241.8
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.