CID 131841377

Pe(18:0(11cp)/16:0(9cp))

Structural Information

Molecular Formula
C41H78NO8P
SMILES
CCCCCC[C@H]1C[C@H]1CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC[C@@H]2C[C@@H]2CCCCCC
InChI
InChI=1S/C41H78NO8P/c1-3-5-7-17-23-35-31-37(35)25-19-13-10-9-11-15-21-27-40(43)47-33-39(34-49-51(45,46)48-30-29-42)50-41(44)28-22-16-12-14-20-26-38-32-36(38)24-18-8-6-4-2/h35-39H,3-34,42H2,1-2H3,(H,45,46)/t35-,36-,37+,38+,39+/m0/s1
InChIKey
VRFDKJQRKGBUFM-VEJIKZNJSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[8-[(1R,2S)-2-hexylcyclopropyl]octanoyloxy]propyl] 10-[(1R,2S)-2-hexylcyclopropyl]decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

743.5465 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 744.55378 285.7
[M+Na]+ 766.53572 290.3
[M-H]- 742.53922 276.1
[M+NH4]+ 761.58032 290.0
[M+K]+ 782.50966 290.1
[M+H-H2O]+ 726.54376 278.9
[M+HCOO]- 788.54470 290.4
[M+CH3COO]- 802.56035 284.5
[M+Na-2H]- 764.52117 269.6
[M]+ 743.54595 293.9
[M]- 743.54705 293.9
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.