CID 131820027

Ps(24:0/24:0)

Structural Information

Molecular Formula
C54H106NO10P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C54H106NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-52(56)62-47-50(48-63-66(60,61)64-49-51(55)54(58)59)65-53(57)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h50-51H,3-49,55H2,1-2H3,(H,58,59)(H,60,61)/t50-,51+/m1/s1
InChIKey
GDLSXMZKHAENOB-KVCIEARHSA-N
Compound name
(2S)-2-amino-3-[[(2R)-2,3-di(tetracosanoyloxy)propoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

959.75543 Da
Monoisotopic Mass

18.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 960.76271 325.1
[M+Na]+ 982.74465 324.4
[M-H]- 958.74815 314.2
[M+NH4]+ 977.78925 331.8
[M+K]+ 998.71859 332.8
[M+H-H2O]+ 942.75269 314.0
[M+HCOO]- 1004.7536 312.8
[M+CH3COO]- 1018.7693 324.8
[M+Na-2H]- 980.73010 298.5
[M]+ 959.75488 325.0
[M]- 959.75598 325.0
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.