PubChemLite - Dihydropsychosine (C24H49NO7)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)N)O

InChI

InChI=1S/C24H49NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h18-24,26-30H,2-17,25H2,1H3/t18-,19+,20+,21-,22-,23+,24+/m0/s1

InChIKey

FIFSBOWKHSUGDL-ZTJQIGGLSA-N

Compound name

(2R,3R,4S,5R,6R)-2-[(2S,3R)-2-amino-3-hydroxyoctadecoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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]+	464.35818	220.2
[M+Na]+	486.34012	217.4
[M-H]-	462.34362	214.1
[M+NH4]+	481.38472	223.4
[M+K]+	502.31406	214.7
[M+H-H2O]+	446.34816	212.0
[M+HCOO]-	508.34910	226.5
[M+CH3COO]-	522.36475	232.0
[M+Na-2H]-	484.32557	211.2
[M]+	463.35035	221.2
[M]-	463.35145	221.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

464.35818

220.2

[M+Na]+

486.34012

217.4

[M-H]-

462.34362

214.1

[M+NH4]+

481.38472

223.4

[M+K]+

502.31406

214.7

[M+H-H2O]+

446.34816

212.0

[M+HCOO]-

508.34910

226.5

[M+CH3COO]-

522.36475

232.0

[M+Na-2H]-

484.32557

211.2

[M]+

463.35035

221.2

[M]-

463.35145

221.2

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

Dihydropsychosine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe