CID 52927451

Pg(22:0/0:0)

Structural Information

Molecular Formula
C28H57O9P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)O
InChI
InChI=1S/C28H57O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(32)35-23-27(31)25-37-38(33,34)36-24-26(30)22-29/h26-27,29-31H,2-25H2,1H3,(H,33,34)/t26-,27+/m0/s1
InChIKey
SLMZPWURDILDNG-RRPNLBNLSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] docosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

568.374 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.38128 240.3
[M+Na]+ 591.36322 239.4
[M-H]- 567.36672 231.5
[M+NH4]+ 586.40782 240.0
[M+K]+ 607.33716 238.4
[M+H-H2O]+ 551.37126 229.3
[M+HCOO]- 613.37220 240.8
[M+CH3COO]- 627.38785 247.3
[M+Na-2H]- 589.34867 220.8
[M]+ 568.37345 236.3
[M]- 568.37455 236.3
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

patents stripe