CID 5313864

1-tetradecyl-2-acetyl-sn-glycero-3-phosphocholine

Structural Information

Molecular Formula
C24H51NO7P
SMILES
CCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C
InChI
InChI=1S/C24H50NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-29-21-24(32-23(2)26)22-31-33(27,28)30-20-18-25(3,4)5/h24H,6-22H2,1-5H3/p+1/t24-/m1/s1
InChIKey
HEALIQQDEGDSLS-XMMPIXPASA-O
Compound name
2-[[(2R)-2-acetyloxy-3-tetradecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

496.3403 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.347576 228.0
[M+Na]+ 519.329518 232.1
[M-H]- 495.333024 224.8
[M+NH4]+ 514.374123 233.8
[M+K]+ 535.303458 227.7
[M+H-H2O]+ 479.337560 214.4
[M+HCOO]- 541.338501 241.3
[M+CH3COO]- 555.354151 238.7
[M+Na-2H]- 517.314966 213.2
[M]+ 496.33975142 225.9
[M]- 496.34084858 225.9
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