CID 2733536

85733-91-1

Structural Information

Molecular Formula
C28H59NO7P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C
InChI
InChI=1S/C28H58NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-33-25-28(36-27(2)30)26-35-37(31,32)34-24-22-29(3,4)5/h28H,6-26H2,1-5H3/p+1/t28-/m1/s1
InChIKey
ZXCIEWBDUAPBJF-MUUNZHRXSA-O
Compound name
2-[[(2R)-2-acetyloxy-3-octadecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

43
References

943
Patents

552.4029 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.41018 242.5
[M+Na]+ 575.39212 245.8
[M-H]- 551.39562 237.7
[M+NH4]+ 570.43672 248.1
[M+K]+ 591.36606 243.0
[M+H-H2O]+ 535.40016 228.3
[M+HCOO]- 597.40110 254.1
[M+CH3COO]- 611.41675 250.1
[M+Na-2H]- 573.37757 225.8
[M]+ 552.40235 240.2
[M]- 552.40345 240.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe