Lipoglycans (C21H44NO9P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C21H44NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(24)29-15-18(23)16-30-32(27,28)31-17-19(22)21(25)26/h18-20,23-24H,2-17,22H2,1H3,(H,25,26)(H,27,28)/t18-,19+,20-/m1/s1

InChIKey

RPZLJDFLPRHXGM-HSALFYBXSA-N

Compound name

(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[(1R)-1-hydroxypentadecoxy]propoxy]phosphoryl]oxypropanoic acid

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]+	486.282636	215.7
[M+Na]+	508.264578	217.4
[M-H]-	484.268084	212.6
[M+NH4]+	503.309183	215.2
[M+K]+	524.238518	212.8
[M+H-H2O]+	468.272620	204.7
[M+HCOO]-	530.273561	213.8
[M+CH3COO]-	544.289211	234.2
[M+Na-2H]-	506.250026	199.5
[M]+	485.27481142	208.7
[M]-	485.27590858	208.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

486.282636

215.7

[M+Na]+

508.264578

217.4

[M-H]-

484.268084

212.6

[M+NH4]+

503.309183

215.2

[M+K]+

524.238518

212.8

[M+H-H2O]+

468.272620

204.7

[M+HCOO]-

530.273561

213.8

[M+CH3COO]-

544.289211

234.2

[M+Na-2H]-

506.250026

199.5

[M]+

485.27481142

208.7

[M]-

485.27590858

208.7

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

Lipoglycans

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe