CID 10673312

1-o-(2-methoxyhexadecyl)-sn-glycerol-3-phosphocholine

Structural Information

Molecular Formula
C25H55NO7P
SMILES
CCCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O)OC
InChI
InChI=1S/C25H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25(30-5)23-31-21-24(27)22-33-34(28,29)32-20-19-26(2,3)4/h24-25,27H,6-23H2,1-5H3/p+1/t24-,25?/m1/s1
InChIKey
BRRAOCFWJYNWFK-IKOFQBKESA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-(2-methoxyhexadecoxy)propoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

512.37164 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.37892 232.5
[M+Na]+ 535.36086 234.8
[M-H]- 511.36436 227.7
[M+NH4]+ 530.40546 235.6
[M+K]+ 551.33480 231.3
[M+H-H2O]+ 495.36890 217.5
[M+HCOO]- 557.36984 242.9
[M+CH3COO]- 571.38549 240.7
[M+Na-2H]- 533.34631 216.0
[M]+ 512.37109 229.2
[M]- 512.37219 229.2
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