CID 52926094

Ps(o-16:0/15:0)

Structural Information

Molecular Formula
C37H74NO9P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C37H74NO9P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-44-31-34(32-45-48(42,43)46-33-35(38)37(40)41)47-36(39)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h34-35H,3-33,38H2,1-2H3,(H,40,41)(H,42,43)/t34-,35+/m1/s1
InChIKey
OHIPNGBMAJNIFN-GPOMZPHUSA-N
Compound name
(2S)-2-amino-3-[[(2R)-3-hexadecoxy-2-pentadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

707.51013 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 708.51741 271.7
[M+Na]+ 730.49935 273.2
[M-H]- 706.50285 264.3
[M+NH4]+ 725.54395 275.7
[M+K]+ 746.47329 274.6
[M+H-H2O]+ 690.50739 261.3
[M+HCOO]- 752.50833 267.5
[M+CH3COO]- 766.52398 281.0
[M+Na-2H]- 728.48480 250.5
[M]+ 707.50958 267.7
[M]- 707.51068 267.7
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.