CID 52926337

Pg(13:0/16:0)

Structural Information

Molecular Formula
C35H69O10P
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C35H69O10P/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-35(39)45-33(31-44-46(40,41)43-29-32(37)28-36)30-42-34(38)26-24-22-20-18-14-12-10-8-6-4-2/h32-33,36-37H,3-31H2,1-2H3,(H,40,41)/t32-,33+/m0/s1
InChIKey
QFAIUDGCZQNULH-JHOUSYSJSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-tridecanoyloxypropan-2-yl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

680.4628 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 681.47008 267.7
[M+Na]+ 703.45202 267.2
[M-H]- 679.45552 259.6
[M+NH4]+ 698.49662 272.2
[M+K]+ 719.42596 268.9
[M+H-H2O]+ 663.46006 257.9
[M+HCOO]- 725.46100 265.4
[M+CH3COO]- 739.47665 269.8
[M+Na-2H]- 701.43747 246.5
[M]+ 680.46225 266.1
[M]- 680.46335 266.1
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.