CID 11377192

18-(p-iodophenyl)octadecyl phosphocholine

Structural Information

Molecular Formula
C29H54INO4P
SMILES
C[N+](C)(C)CCOP(=O)(O)OCCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)I
InChI
InChI=1S/C29H53INO4P/c1-31(2,3)25-27-35-36(32,33)34-26-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-28-21-23-29(30)24-22-28/h21-24H,4-20,25-27H2,1-3H3/p+1
InChIKey
ZOAIEFWMQLYMTF-UHFFFAOYSA-O
Compound name
2-[hydroxy-[18-(4-iodophenyl)octadecoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

1432
Patents

638.2835 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.29078 245.8
[M+Na]+ 661.27272 249.2
[M+NH4]+ 656.31732 251.5
[M+K]+ 677.24666 253.0
[M-H]- 637.27622 240.4
[M+Na-2H]- 659.25817 237.4
[M]+ 638.28295 246.0
[M]- 638.28405 246.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe