CID 131841375

Pe(15:0/16:0(9cp))

Structural Information

Molecular Formula
C37H72NO8P
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC[C@@H]1C[C@@H]1CCCCCC
InChI
InChI=1S/C37H72NO8P/c1-3-5-7-9-10-11-12-13-14-15-18-22-26-36(39)43-31-35(32-45-47(41,42)44-29-28-38)46-37(40)27-23-19-16-17-21-25-34-30-33(34)24-20-8-6-4-2/h33-35H,3-32,38H2,1-2H3,(H,41,42)/t33-,34+,35+/m0/s1
InChIKey
OXMOEZMESDNNGK-BMPTZRATSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[8-[(1R,2S)-2-hexylcyclopropyl]octanoyloxy]propyl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

689.4996 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 690.50688 267.9
[M+Na]+ 712.48882 272.2
[M-H]- 688.49232 259.0
[M+NH4]+ 707.53342 272.4
[M+K]+ 728.46276 271.7
[M+H-H2O]+ 672.49686 259.5
[M+HCOO]- 734.49780 271.5
[M+CH3COO]- 748.51345 279.1
[M+Na-2H]- 710.47427 249.5
[M]+ 689.49905 270.5
[M]- 689.50015 270.5
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.