CID 131822280

Pa(19:0/a-25:0)

Structural Information

Molecular Formula
C47H93O8P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C47H93O8P/c1-4-6-7-8-9-10-11-12-13-19-22-25-28-31-34-37-40-46(48)53-42-45(43-54-56(50,51)52)55-47(49)41-38-35-32-29-26-23-20-17-15-14-16-18-21-24-27-30-33-36-39-44(3)5-2/h44-45H,4-43H2,1-3H3,(H2,50,51,52)/t44?,45-/m1/s1
InChIKey
DIPNUFCFHMSTCP-BWSSJUFOSA-N
Compound name
[(2R)-1-nonadecanoyloxy-3-phosphonooxypropan-2-yl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

816.6608 Da
Monoisotopic Mass

19.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 817.66808 299.9
[M+Na]+ 839.65002 299.5
[M-H]- 815.65352 286.6
[M+NH4]+ 834.69462 305.2
[M+K]+ 855.62396 306.4
[M+H-H2O]+ 799.65806 290.0
[M+HCOO]- 861.65900 294.9
[M+CH3COO]- 875.67465 300.1
[M+Na-2H]- 837.63547 275.8
[M]+ 816.66025 299.6
[M]- 816.66135 299.6
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.