CID 52926113

Ps(o-18:0/17:0)

Structural Information

Molecular Formula
C41H82NO9P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCC
InChI
InChI=1S/C41H82NO9P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-48-35-38(36-49-52(46,47)50-37-39(42)41(44)45)51-40(43)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h38-39H,3-37,42H2,1-2H3,(H,44,45)(H,46,47)/t38-,39+/m1/s1
InChIKey
CRNHCTGXEIEELY-RGULYWFUSA-N
Compound name
(2S)-2-amino-3-[[(2R)-2-heptadecanoyloxy-3-octadecoxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

763.5727 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 764.57998 284.6
[M+Na]+ 786.56192 285.4
[M-H]- 762.56542 275.6
[M+NH4]+ 781.60652 288.6
[M+K]+ 802.53586 288.5
[M+H-H2O]+ 746.56996 273.8
[M+HCOO]- 808.57090 278.9
[M+CH3COO]- 822.58655 291.6
[M+Na-2H]- 784.54737 261.8
[M]+ 763.57215 281.1
[M]- 763.57325 281.1
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.