CID 52924967

Pe(o-16:0/20:1(11z))

Structural Information

Molecular Formula
C41H82NO7P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C41H82NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42)38-46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17,19,40H,3-16,18,20-39,42H2,1-2H3,(H,44,45)/b19-17-/t40-/m1/s1
InChIKey
YUSDMPKKAHTCEL-QCFYSATCSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecoxypropan-2-yl] (Z)-icos-11-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

731.5829 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 732.59018 281.5
[M+Na]+ 754.57212 283.4
[M-H]- 730.57562 268.8
[M+NH4]+ 749.61672 283.2
[M+K]+ 770.54606 285.5
[M+H-H2O]+ 714.58016 270.5
[M+HCOO]- 776.58110 282.6
[M+CH3COO]- 790.59675 288.7
[M+Na-2H]- 752.55757 258.9
[M]+ 731.58235 277.2
[M]- 731.58345 277.2
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.