CID 171120948

Pe(16:0(15me)/14:0(13me))

Structural Information

Molecular Formula
C37H74NO8P
SMILES
CC(C)CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCC(C)C
InChI
InChI=1S/C37H74NO8P/c1-33(2)25-21-17-13-9-6-5-7-11-15-19-23-27-36(39)43-31-35(32-45-47(41,42)44-30-29-38)46-37(40)28-24-20-16-12-8-10-14-18-22-26-34(3)4/h33-35H,5-32,38H2,1-4H3,(H,41,42)/t35-/m1/s1
InChIKey
NNATXIGMVFSCPM-PGUFJCEWSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(13-methyltetradecanoyloxy)propyl] 15-methylhexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

691.5152 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 692.52248 269.3
[M+Na]+ 714.50442 273.0
[M-H]- 690.50792 263.5
[M+NH4]+ 709.54902 276.7
[M+K]+ 730.47836 274.9
[M+H-H2O]+ 674.51246 260.7
[M+HCOO]- 736.51340 264.8
[M+CH3COO]- 750.52905 281.5
[M+Na-2H]- 712.48987 250.1
[M]+ 691.51465 266.4
[M]- 691.51575 266.4
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.