CID 3075135

Tris(2-(4-pyridyl)ethyl)phosphine oxide

Structural Information

Molecular Formula
C21H24N3P
SMILES
C1=CN=CC=C1CCP(CCC2=CC=NC=C2)CCC3=CC=NC=C3
InChI
InChI=1S/C21H24N3P/c1-10-22-11-2-19(1)7-16-25(17-8-20-3-12-23-13-4-20)18-9-21-5-14-24-15-6-21/h1-6,10-15H,7-9,16-18H2
InChIKey
FGSSCQBNIWVXSB-UHFFFAOYSA-N
Compound name
tris(2-pyridin-4-ylethyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.17078 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.17806 188.6
[M+Na]+ 372.16000 191.8
[M-H]- 348.16350 191.0
[M+NH4]+ 367.20460 196.4
[M+K]+ 388.13394 185.2
[M+H-H2O]+ 332.16804 173.3
[M+HCOO]- 394.16898 211.1
[M+CH3COO]- 408.18463 214.6
[M+Na-2H]- 370.14545 189.4
[M]+ 349.17023 188.3
[M]- 349.17133 188.3
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

No patent data available for this compound.