CID 52923977

Pc(p-20:0/12:0)

Structural Information

Molecular Formula
C40H81NO7P
SMILES
CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C40H80NO7P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-15-13-11-9-7-2/h32,35,39H,6-31,33-34,36-38H2,1-5H3/p+1/b35-32-/t39-/m1/s1
InChIKey
KTAMGIBKTBSGPU-MCBGMKGZSA-O
Compound name
2-[[(2R)-2-dodecanoyloxy-3-[(Z)-icos-1-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

718.5751 Da
Monoisotopic Mass

14.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 719.58238 281.2
[M+Na]+ 741.56432 282.8
[M-H]- 717.56782 272.7
[M+NH4]+ 736.60892 286.8
[M+K]+ 757.53826 284.7
[M+H-H2O]+ 701.57236 265.7
[M+HCOO]- 763.57330 288.9
[M+CH3COO]- 777.58895 281.7
[M+Na-2H]- 739.54977 260.0
[M]+ 718.57455 278.8
[M]- 718.57565 278.8
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.