CID 52923803

Pc(o-18:0/22:1(11z))

Structural Information

Molecular Formula
C48H97NO7P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC
InChI
InChI=1S/C48H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h24-25,47H,6-23,26-46H2,1-5H3/p+1/b25-24-/t47-/m1/s1
InChIKey
CINFSHUMMMEHQB-ITQMVGCCSA-O
Compound name
2-[[(2R)-2-[(Z)-docos-11-enoyl]oxy-3-octadecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

830.70026 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 831.70754 306.8
[M+Na]+ 853.68948 306.8
[M-H]- 829.69298 295.2
[M+NH4]+ 848.73408 312.2
[M+K]+ 869.66342 312.1
[M+H-H2O]+ 813.69752 290.4
[M+HCOO]- 875.69846 311.4
[M+CH3COO]- 889.71411 302.8
[M+Na-2H]- 851.67493 282.3
[M]+ 830.69971 304.8
[M]- 830.70081 304.8
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.