CID 91666397

N,1-dioleoyl-sn-glycero-3-phosphoethanolamine(1-)

Structural Information

Molecular Formula
C41H78NO8P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCOP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O
InChI
InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)42-35-36-49-51(46,47)50-38-39(43)37-48-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39,43H,3-16,21-38H2,1-2H3,(H,42,44)(H,46,47)/b19-17-,20-18-/t39-/m1/s1
InChIKey
UQJFAJZAVYKPEN-NYVOMTAGSA-N
Compound name
[(2R)-2-hydroxy-3-[hydroxy-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]phosphoryl]oxypropyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

743.5465 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 744.55378 282.6
[M+Na]+ 766.53572 284.9
[M-H]- 742.53922 273.8
[M+NH4]+ 761.58032 286.0
[M+K]+ 782.50966 286.8
[M+H-H2O]+ 726.54376 271.7
[M+HCOO]- 788.54470 281.9
[M+CH3COO]- 802.56035 286.8
[M+Na-2H]- 764.52117 260.6
[M]+ 743.54595 278.6
[M]- 743.54705 278.6
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.