CID 52926303

Ps(o-16:0/0:0)

Structural Information

Molecular Formula
C22H46NO8P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O
InChI
InChI=1S/C22H46NO8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-29-17-20(24)18-30-32(27,28)31-19-21(23)22(25)26/h20-21,24H,2-19,23H2,1H3,(H,25,26)(H,27,28)/t20-,21+/m1/s1
InChIKey
OKDHAHLLVBYLHA-RTWAWAEBSA-N
Compound name
(2S)-2-amino-3-[[(2R)-3-hexadecoxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

483.2961 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.30338 217.9
[M+Na]+ 506.28532 220.4
[M-H]- 482.28882 212.9
[M+NH4]+ 501.32992 217.3
[M+K]+ 522.25926 215.7
[M+H-H2O]+ 466.29336 207.2
[M+HCOO]- 528.29430 219.7
[M+CH3COO]- 542.30995 236.1
[M+Na-2H]- 504.27077 201.7
[M]+ 483.29555 211.5
[M]- 483.29665 211.5
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