PubChemLite - I-galser[c16] (l) (C25H50N2O7)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H50N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-24(32)19(26)18-33-25-23(31)22(30)21(29)20(17-28)34-25/h19-23,25,28-31H,2-18,26H2,1H3,(H,27,32)/t19-,20+,21-,22-,23+,25+/m0/s1

InChIKey

VOPVYRFWUGBDJY-VHBKMNRISA-N

Compound name

(2S)-2-amino-N-hexadecyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanamide

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]+	491.36910	225.7
[M+Na]+	513.35104	222.3
[M-H]-	489.35454	220.8
[M+NH4]+	508.39564	225.1
[M+K]+	529.32498	219.8
[M+H-H2O]+	473.35908	216.7
[M+HCOO]-	535.36002	239.2
[M+CH3COO]-	549.37567	241.4
[M+Na-2H]-	511.33649	217.2
[M]+	490.36127	227.3
[M]-	490.36237	227.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.36910

225.7

[M+Na]+

513.35104

222.3

[M-H]-

489.35454

220.8

[M+NH4]+

508.39564

225.1

[M+K]+

529.32498

219.8

[M+H-H2O]+

473.35908

216.7

[M+HCOO]-

535.36002

239.2

[M+CH3COO]-

549.37567

241.4

[M+Na-2H]-

511.33649

217.2

[M]+

490.36127

227.3

[M]-

490.36237

227.3

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

I-galser[c16] (l)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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