CID 131821864

Pa(14:0/20:3(5z,8z,11z))

Structural Information

Molecular Formula
C37H67O8P
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
InChI
InChI=1S/C37H67O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-14-12-10-8-6-4-2/h16-17,19-20,24,26,35H,3-15,18,21-23,25,27-34H2,1-2H3,(H2,40,41,42)/b17-16-,20-19-,26-24-/t35-/m1/s1
InChIKey
NVBMOVTUZNFKEL-FFUHTYBESA-N
Compound name
[(2R)-1-phosphonooxy-3-tetradecanoyloxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

670.45734 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 671.46462 263.0
[M+Na]+ 693.44656 264.9
[M+NH4]+ 688.49116 266.9
[M+K]+ 709.42050 265.0
[M-H]- 669.45006 253.3
[M+Na-2H]- 691.43201 263.3
[M]+ 670.45679 261.3
[M]- 670.45789 261.3
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.