CID 131821122

Pe-nme2(18:1(11z)/15:0)

Structural Information

Molecular Formula
C40H78NO8P
SMILES
CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCN(C)C
InChI
InChI=1S/C40H78NO8P/c1-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3)4)49-40(43)33-31-29-27-25-22-18-16-14-12-10-8-6-2/h15,17,38H,5-14,16,18-37H2,1-4H3,(H,44,45)/b17-15-
InChIKey
PQBUSJBULWZRPV-ICFOKQHNSA-N
Compound name
[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-pentadecanoyloxypropyl] (Z)-octadec-11-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

731.5465 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 732.55378 286.1
[M+Na]+ 754.53572 288.9
[M+NH4]+ 749.58032 292.8
[M+K]+ 770.50966 289.3
[M-H]- 730.53922 276.9
[M+Na-2H]- 752.52117 285.4
[M]+ 731.54595 285.2
[M]- 731.54705 285.2
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.