CID 131821094

Pe-nme2(18:0/14:0)

Structural Information

Molecular Formula
C39H78NO8P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C39H78NO8P/c1-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40(3)4)48-39(42)32-30-28-26-24-21-16-14-12-10-8-6-2/h37H,5-36H2,1-4H3,(H,43,44)
InChIKey
UGUDKKDFZAUPSB-UHFFFAOYSA-N
Compound name
[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-tetradecanoyloxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

719.5465 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 720.55378 285.0
[M+Na]+ 742.53572 287.3
[M+NH4]+ 737.58032 291.6
[M+K]+ 758.50966 287.7
[M-H]- 718.53922 275.3
[M+Na-2H]- 740.52117 284.1
[M]+ 719.54595 283.9
[M]- 719.54705 283.9
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.