CID 134812274

Pc(34:6(16z,19z,22z,24z,28z,31z)/22:6(4z,7z,10z,13z,16z,19z))

Structural Information

Molecular Formula
C64H105NO8P
SMILES
CC/C=C\C/C=C\CC/C=C\C=C/C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C64H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-34-35-36-37-39-40-42-44-46-48-50-52-54-56-63(66)70-60-62(61-72-74(68,69)71-59-58-65(3,4)5)73-64(67)57-55-53-51-49-47-45-43-41-38-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,21-24,26-27,29-30,32-33,38,41,45,47,51,53,62H,6-7,12-13,18-20,25,28,31,34-37,39-40,42-44,46,48-50,52,54-61H2,1-5H3/p+1/b10-8-,11-9-,16-14-,17-15-,23-21-,24-22-,27-26-,30-29-,33-32-,41-38-,47-45-,53-51-/t62-/m1/s1
InChIKey
RDHQFWBHLRGWPZ-XCFHNWCUSA-O
Compound name
2-[[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(16Z,19Z,22Z,24Z,28Z,31Z)-tetratriaconta-16,19,22,24,28,31-hexaenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1046.7578 Da
Monoisotopic Mass

18.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1047.7651 331.7
[M+Na]+ 1069.7470 336.1
[M-H]- 1045.7505 326.3
[M+NH4]+ 1064.7916 343.1
[M+K]+ 1085.7210 342.8
[M+H-H2O]+ 1029.7551 315.6
[M+HCOO]- 1091.7560 337.5
[M+CH3COO]- 1105.7717 328.9
[M+Na-2H]- 1067.7325 308.1
[M]+ 1046.7573 330.9
[M]- 1046.7583 330.9
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.