CID 99249

Phosphine oxide, benzyldipiperidino-

Structural Information

Molecular Formula
C17H27N2OP
SMILES
C1CCN(CC1)P(=O)(CC2=CC=CC=C2)N3CCCCC3
InChI
InChI=1S/C17H27N2OP/c20-21(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-17-10-4-1-5-11-17/h1,4-5,10-11H,2-3,6-9,12-16H2
InChIKey
WSKKPQXZNCGRDG-UHFFFAOYSA-N
Compound name
1-[benzyl(piperidin-1-yl)phosphoryl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.1861 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.19338 176.4
[M+Na]+ 329.17532 176.3
[M-H]- 305.17882 179.1
[M+NH4]+ 324.21992 187.2
[M+K]+ 345.14926 172.3
[M+H-H2O]+ 289.18336 163.0
[M+HCOO]- 351.18430 193.2
[M+CH3COO]- 365.19995 203.0
[M+Na-2H]- 327.16077 175.3
[M]+ 306.18555 167.0
[M]- 306.18665 167.0
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

patents stripe