CID 4369584

Pe(15:0/14:0)

Structural Information

Molecular Formula
C34H68NO8P
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C34H68NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-33(36)40-30-32(31-42-44(38,39)41-29-28-35)43-34(37)27-25-23-21-19-16-14-12-10-8-6-4-2/h32H,3-31,35H2,1-2H3,(H,38,39)/t32-/m1/s1
InChIKey
VNPKEVZXIMYUIM-JGCGQSQUSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

649.46826 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 650.47554 261.0
[M+Na]+ 672.45748 264.3
[M+NH4]+ 667.50208 266.1
[M+K]+ 688.43142 263.7
[M-H]- 648.46098 252.3
[M+Na-2H]- 670.44293 261.9
[M]+ 649.46771 259.8
[M]- 649.46881 259.8
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.