CID 52926005

Ps(17:0/13:0)

Structural Information

Molecular Formula
C36H70NO10P
SMILES
CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCC
InChI
InChI=1S/C36H70NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-34(38)44-29-32(30-45-48(42,43)46-31-33(37)36(40)41)47-35(39)28-26-24-22-19-14-12-10-8-6-4-2/h32-33H,3-31,37H2,1-2H3,(H,40,41)(H,42,43)/t32-,33+/m1/s1
InChIKey
YLHSFPZKQGMIMP-SAIUNTKASA-N
Compound name
(2S)-2-amino-3-[[(2R)-3-heptadecanoyloxy-2-tridecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

707.47375 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 708.48103 269.6
[M+Na]+ 730.46297 271.9
[M-H]- 706.46647 265.5
[M+NH4]+ 725.50757 276.3
[M+K]+ 746.43691 272.8
[M+H-H2O]+ 690.47101 260.0
[M+HCOO]- 752.47195 264.2
[M+CH3COO]- 766.48760 279.6
[M+Na-2H]- 728.44842 249.6
[M]+ 707.47320 266.4
[M]- 707.47430 266.4
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.