CID 131822311

Pa(21:0/i-16:0)

Structural Information

Molecular Formula
C40H79O8P
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC(C)C
InChI
InChI=1S/C40H79O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-33-39(41)46-35-38(36-47-49(43,44)45)48-40(42)34-31-28-25-22-19-18-20-23-26-29-32-37(2)3/h37-38H,4-36H2,1-3H3,(H2,43,44,45)/t38-/m1/s1
InChIKey
CPKWQEZBIBXVJS-KXQOOQHDSA-N
Compound name
[(2R)-2-(14-methylpentadecanoyloxy)-3-phosphonooxypropyl] henicosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

718.5513 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 719.55858 279.8
[M+Na]+ 741.54052 280.0
[M+NH4]+ 736.58512 284.5
[M+K]+ 757.51446 281.0
[M-H]- 717.54402 268.0
[M+Na-2H]- 739.52597 278.2
[M]+ 718.55075 277.4
[M]- 718.55185 277.4
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.