CID 52926028

Ps(14:0/22:0)

Structural Information

Molecular Formula
C42H82NO10P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N
InChI
InChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(45)53-38(36-51-54(48,49)52-37-39(43)42(46)47)35-50-40(44)33-31-29-27-25-23-14-12-10-8-6-4-2/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49)/t38-,39+/m1/s1
InChIKey
MXERKOUIKYBOJD-RGULYWFUSA-N
Compound name
(2S)-2-amino-3-[[(2R)-2-docosanoyloxy-3-tetradecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

791.5676 Da
Monoisotopic Mass

12.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 792.57488 288.6
[M+Na]+ 814.55682 290.9
[M+NH4]+ 809.60142 295.4
[M+K]+ 830.53076 292.7
[M-H]- 790.56032 281.6
[M+Na-2H]- 812.54227 288.1
[M]+ 791.56705 288.2
[M]- 791.56815 288.2
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