CID 131841372

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

Structural Information

Molecular Formula
C40H78NO8P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC[C@@H]1C[C@@H]1CCCCCC
InChI
InChI=1S/C40H78NO8P/c1-3-5-7-9-10-11-12-13-14-15-18-21-25-29-39(42)46-34-38(35-48-50(44,45)47-32-31-41)49-40(43)30-26-22-19-16-17-20-24-28-37-33-36(37)27-23-8-6-4-2/h36-38H,3-35,41H2,1-2H3,(H,44,45)/t36-,37+,38+/m0/s1
InChIKey
ONPGMNQDNUEGRF-YXWIYCFASA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[10-[(1R,2S)-2-hexylcyclopropyl]decanoyloxy]propyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

731.5465 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 732.55378 277.8
[M+Na]+ 754.53572 281.6
[M-H]- 730.53922 267.8
[M+NH4]+ 749.58032 282.2
[M+K]+ 770.50966 282.3
[M+H-H2O]+ 714.54376 269.1
[M+HCOO]- 776.54470 280.3
[M+CH3COO]- 790.56035 286.7
[M+Na-2H]- 752.52117 258.2
[M]+ 731.54595 280.6
[M]- 731.54705 280.6
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.