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 241.4
[M+Na]+ 573.41287 248.8
[M-H]- 549.41637 235.0
[M+NH4]+ 568.45747 245.0
[M+K]+ 589.38681 242.5
[M+H-H2O]+ 533.42091 229.8
[M+HCOO]- 595.42185 264.5
[M+CH3COO]- 609.43750 247.8
[M+Na-2H]- 571.39832 224.6
[M]+ 550.42310 240.5
[M]- 550.42420 240.5
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