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
2
Annotation Hits

0
References

2
Patents

496.3403 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.34758 228.0
[M+Na]+ 519.32952 232.1
[M-H]- 495.33302 224.8
[M+NH4]+ 514.37412 233.8
[M+K]+ 535.30346 227.7
[M+H-H2O]+ 479.33756 214.4
[M+HCOO]- 541.33850 241.3
[M+CH3COO]- 555.35415 238.7
[M+Na-2H]- 517.31497 213.2
[M]+ 496.33975 225.9
[M]- 496.34085 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