CID 52925997

Ps(18:0/16:0)

Structural Information

Molecular Formula
C40H78NO10P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C40H78NO10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h36-37H,3-35,41H2,1-2H3,(H,44,45)(H,46,47)/t36-,37+/m1/s1
InChIKey
WZFUPCSEUKNOBF-AARKOHAPSA-N
Compound name
(2S)-2-amino-3-[[(2R)-2-hexadecanoyloxy-3-octadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

10
Patents

763.5363 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 764.54358 282.2
[M+Na]+ 786.52552 284.6
[M+NH4]+ 781.57012 289.0
[M+K]+ 802.49946 286.0
[M-H]- 762.52902 275.8
[M+Na-2H]- 784.51097 282.3
[M]+ 763.53575 281.9
[M]- 763.53685 281.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe