CID 52926240

Ps(p-20:0/14:0)

Structural Information

Molecular Formula
C40H78NO9P
SMILES
CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C40H78NO9P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-47-34-37(35-48-51(45,46)49-36-38(41)40(43)44)50-39(42)32-30-28-26-24-22-14-12-10-8-6-4-2/h31,33,37-38H,3-30,32,34-36,41H2,1-2H3,(H,43,44)(H,45,46)/b33-31-/t37-,38+/m1/s1
InChIKey
GXVYOBKMEXJUFR-PBSRCHRYSA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-3-[(Z)-icos-1-enoxy]-2-tetradecanoyloxypropoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

747.54144 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 748.54872 279.1
[M+Na]+ 770.53066 280.7
[M-H]- 746.53416 271.3
[M+NH4]+ 765.57526 283.4
[M+K]+ 786.50460 282.9
[M+H-H2O]+ 730.53870 268.4
[M+HCOO]- 792.53964 274.6
[M+CH3COO]- 806.55529 287.8
[M+Na-2H]- 768.51611 257.2
[M]+ 747.54089 275.3
[M]- 747.54199 275.3
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.