CID 52927454

Pg(19:0/0:0)

Structural Information

Molecular Formula
C25H51O9P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)O
InChI
InChI=1S/C25H51O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)32-20-24(28)22-34-35(30,31)33-21-23(27)19-26/h23-24,26-28H,2-22H2,1H3,(H,30,31)/t23-,24+/m0/s1
InChIKey
KEMFFHNVIWFEJX-BJKOFHAPSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] nonadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

526.3271 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.33438 229.7
[M+Na]+ 549.31632 229.4
[M-H]- 525.31982 222.1
[M+NH4]+ 544.36092 229.5
[M+K]+ 565.29026 227.1
[M+H-H2O]+ 509.32436 219.1
[M+HCOO]- 571.32530 231.4
[M+CH3COO]- 585.34095 238.9
[M+Na-2H]- 547.30177 211.5
[M]+ 526.32655 225.7
[M]- 526.32765 225.7
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