CID 130725

Sdz 266336 (s isomer)

Structural Information

Molecular Formula
C29H61NO6P
SMILES
CCCCCCCCCCCCCCCCCCOCC1(CCCO1)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C29H60NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-33-27-29(22-21-25-34-29)28-36-37(31,32)35-26-23-30(2,3)4/h5-28H2,1-4H3/p+1
InChIKey
OEWZGBLJCYAMEG-UHFFFAOYSA-O
Compound name
2-[hydroxy-[[2-(octadecoxymethyl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

44
Patents

550.42365 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.43093 242.4
[M+Na]+ 573.41287 246.4
[M+NH4]+ 568.45747 249.0
[M+K]+ 589.38681 251.3
[M-H]- 549.41637 237.2
[M+Na-2H]- 571.39832 234.7
[M]+ 550.42310 242.9
[M]- 550.42420 242.9
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