CID 5313857

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

Structural Information

Molecular Formula
C38H79NO7P
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C38H78NO7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-38(40)46-37(36-45-47(41,42)44-34-32-39(3,4)5)35-43-33-30-28-26-24-22-19-17-15-13-11-9-7-2/h37H,6-36H2,1-5H3/p+1/t37-/m1/s1
InChIKey
BYMZZQJJOHDZOU-DIPNUNPCSA-O
Compound name
2-[[(2R)-2-hexadecanoyloxy-3-tetradecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

90
Patents

692.5594 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 693.56668 276.8
[M+Na]+ 715.54862 279.0
[M+NH4]+ 710.59322 250.0
[M+K]+ 731.52256 283.4
[M-H]- 691.55212 270.5
[M+Na-2H]- 713.53407 265.0
[M]+ 692.55885 276.5
[M]- 692.55995 276.5
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