PubChemLite - [(2r)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate (C33H66NO8P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C33H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30,34H2,1-2H3,(H,37,38)/t31-/m1/s1

InChIKey

NEZDNQCXEZDCBI-WJOKGBTCSA-N

Compound name

[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	636.45988	257.7
[M+Na]+	658.44182	261.1
[M-H]-	634.44532	250.4
[M+NH4]+	653.48642	261.9
[M+K]+	674.41576	260.3
[M+H-H2O]+	618.44986	248.3
[M+HCOO]-	680.45080	259.5
[M+CH3COO]-	694.46645	269.4
[M+Na-2H]-	656.42727	238.7
[M]+	635.45205	253.9
[M]-	635.45315	253.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

636.45988

257.7

[M+Na]+

658.44182

261.1

[M-H]-

634.44532

250.4

[M+NH4]+

653.48642

261.9

[M+K]+

674.41576

260.3

[M+H-H2O]+

618.44986

248.3

[M+HCOO]-

680.45080

259.5

[M+CH3COO]-

694.46645

269.4

[M+Na-2H]-

656.42727

238.7

[M]+

635.45205

253.9

[M]-

635.45315

253.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

[(2r)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe