CID 11115462

120595-85-9

Structural Information

Molecular Formula
C48H88NO6P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(N(C(C)C)C(C)C)OCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C48H88NO6P/c1-7-9-11-13-15-17-19-21-23-25-27-29-34-38-47(50)52-41-46(55-48(51)39-35-30-28-26-24-22-20-18-16-14-12-10-8-2)42-54-56(49(43(3)4)44(5)6)53-40-45-36-32-31-33-37-45/h31-33,36-37,43-44,46H,7-30,34-35,38-42H2,1-6H3/t46-,56?/m1/s1
InChIKey
KEIYZCAVVCVQIB-VUISALNHSA-N
Compound name
[(2R)-3-[[di(propan-2-yl)amino]-phenylmethoxyphosphanyl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

805.63495 Da
Monoisotopic Mass

17.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 806.64223 293.5
[M+Na]+ 828.62417 302.1
[M-H]- 804.62767 284.9
[M+NH4]+ 823.66877 306.8
[M+K]+ 844.59811 304.7
[M+H-H2O]+ 788.63221 291.3
[M+HCOO]- 850.63315 288.6
[M+CH3COO]- 864.64880 309.5
[M+Na-2H]- 826.60962 275.1
[M]+ 805.63440 292.8
[M]- 805.63550 292.8
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.