CID 52923877

Pc(p-16:0/14:1(9z))

Structural Information

Molecular Formula
C38H75NO7P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C38H74NO7P/c1-6-8-10-12-14-16-18-19-20-22-24-26-28-30-33-43-35-37(36-45-47(41,42)44-34-32-39(3,4)5)46-38(40)31-29-27-25-23-21-17-15-13-11-9-7-2/h13,15,30,33,37H,6-12,14,16-29,31-32,34-36H2,1-5H3/p+1/b15-13-,33-30-/t37-/m1/s1
InChIKey
RMEZSZVJIYBBIJ-MWXRYAQWSA-O
Compound name
2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-[(Z)-tetradec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

688.52814 Da
Monoisotopic Mass

12.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.53542 272.3
[M+Na]+ 711.51736 275.1
[M+NH4]+ 706.56196 245.6
[M+K]+ 727.49130 280.6
[M-H]- 687.52086 266.5
[M+Na-2H]- 709.50281 261.2
[M]+ 688.52759 272.4
[M]- 688.52869 272.4
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.