CID 131821019

Pe-nme2(14:1(9z)/20:5(5z,8z,11z,14z,17z))

Structural Information

Molecular Formula
C41H70NO8P
SMILES
CCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C41H70NO8P/c1-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3)4)37-47-40(43)33-31-29-27-25-23-16-14-12-10-8-6-2/h7,9,12-15,18-19,21-22,26,28,39H,5-6,8,10-11,16-17,20,23-25,27,29-38H2,1-4H3,(H,45,46)/b9-7-,14-12-,15-13-,19-18-,22-21-,28-26-
InChIKey
GATXUZLTAZOZSD-XONVMWSHSA-N
Compound name
[1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

735.4839 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 736.49118 278.7
[M+Na]+ 758.47312 283.8
[M+NH4]+ 753.51772 285.3
[M+K]+ 774.44706 283.8
[M-H]- 734.47662 273.1
[M+Na-2H]- 756.45857 279.9
[M]+ 735.48335 279.2
[M]- 735.48445 279.2
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.