CID 52925032

Pe(o-16:0/19:0)

Structural Information

Molecular Formula
C40H82NO7P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChI
InChI=1S/C40H82NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-40(42)48-39(38-47-49(43,44)46-36-34-41)37-45-35-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h39H,3-38,41H2,1-2H3,(H,43,44)/t39-/m1/s1
InChIKey
YIPUYZGDLOIUEC-LDLOPFEMSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecoxypropan-2-yl] nonadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

719.5829 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 720.59018 280.6
[M+Na]+ 742.57212 282.1
[M-H]- 718.57562 267.5
[M+NH4]+ 737.61672 282.0
[M+K]+ 758.54606 284.3
[M+H-H2O]+ 702.58016 269.6
[M+HCOO]- 764.58110 281.2
[M+CH3COO]- 778.59675 287.2
[M+Na-2H]- 740.55757 257.9
[M]+ 719.58235 276.5
[M]- 719.58345 276.5
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.