CID 52924888

Pe(19:0/13:0)

Structural Information

Molecular Formula
C37H74NO8P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCC
InChI
InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-21-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1
InChIKey
AZBPFFLUMJMUOQ-PGUFJCEWSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tridecanoyloxypropyl] nonadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

691.5152 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 692.52248 271.2
[M+Na]+ 714.50442 273.8
[M-H]- 690.50792 262.2
[M+NH4]+ 709.54902 275.3
[M+K]+ 730.47836 274.6
[M+H-H2O]+ 674.51246 261.3
[M+HCOO]- 736.51340 271.3
[M+CH3COO]- 750.52905 280.2
[M+Na-2H]- 712.48987 250.4
[M]+ 691.51465 267.5
[M]- 691.51575 267.5
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.