CID 134812401

Os-ps

Structural Information

Molecular Formula
C28H50NO12P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCC(=O)O
InChI
InChI=1S/C28H50NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)38-20-23(41-27(33)19-18-25(30)31)21-39-42(36,37)40-22-24(29)28(34)35/h9-10,23-24H,2-8,11-22,29H2,1H3,(H,30,31)(H,34,35)(H,36,37)/b10-9-/t23-,24+/m1/s1
InChIKey
SDZHYWXEWDZPMD-KCVNTPOGSA-N
Compound name
4-[(2R)-1-[[(2S)-2-amino-2-carboxyethoxy]-hydroxyphosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl]oxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

623.30707 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.31435 244.7
[M+Na]+ 646.29629 247.8
[M-H]- 622.29979 247.1
[M+NH4]+ 641.34089 252.8
[M+K]+ 662.27023 245.1
[M+H-H2O]+ 606.30433 235.6
[M+HCOO]- 668.30527 239.7
[M+CH3COO]- 682.32092 258.8
[M+Na-2H]- 644.28174 228.0
[M]+ 623.30652 241.0
[M]- 623.30762 241.0
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.