CID 171120947

Pe(14:0/14:0(13me))

Structural Information

Molecular Formula
C34H68NO8P
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCC(C)C
InChI
InChI=1S/C34H68NO8P/c1-4-5-6-7-8-9-10-13-16-19-22-25-33(36)40-29-32(30-42-44(38,39)41-28-27-35)43-34(37)26-23-20-17-14-11-12-15-18-21-24-31(2)3/h31-32H,4-30,35H2,1-3H3,(H,38,39)/t32-/m1/s1
InChIKey
QAPUCNYBXREWFD-JGCGQSQUSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] 13-methyltetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

649.46826 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 650.47554 260.3
[M+Na]+ 672.45748 264.0
[M-H]- 648.46098 254.1
[M+NH4]+ 667.50208 266.1
[M+K]+ 688.43142 264.1
[M+H-H2O]+ 632.46552 251.3
[M+HCOO]- 694.46646 259.3
[M+CH3COO]- 708.48211 272.8
[M+Na-2H]- 670.44293 241.5
[M]+ 649.46771 256.8
[M]- 649.46881 256.8
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.