CID 52926037

Ps(14:0/15:0)

Structural Information

Molecular Formula
C35H68NO10P
SMILES
CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N
InChI
InChI=1S/C35H68NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-34(38)46-31(29-44-47(41,42)45-30-32(36)35(39)40)28-43-33(37)26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32H,3-30,36H2,1-2H3,(H,39,40)(H,41,42)/t31-,32+/m1/s1
InChIKey
RDGOWVQONPEGML-ZWXJPIIXSA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-2-pentadecanoyloxy-3-tetradecanoyloxypropoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

693.45807 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 694.46535 266.3
[M+Na]+ 716.44729 268.7
[M-H]- 692.45079 262.5
[M+NH4]+ 711.49189 273.0
[M+K]+ 732.42123 269.3
[M+H-H2O]+ 676.45533 256.8
[M+HCOO]- 738.45627 261.3
[M+CH3COO]- 752.47192 276.9
[M+Na-2H]- 714.43274 246.7
[M]+ 693.45752 263.0
[M]- 693.45862 263.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.