PubChemLite - N-benzyl-3-(alpha-d-galactopyranosyloxy)benzamide (C20H23NO7)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O

InChI

InChI=1S/C20H23NO7/c22-11-15-16(23)17(24)18(25)20(28-15)27-14-8-4-7-13(9-14)19(26)21-10-12-5-2-1-3-6-12/h1-9,15-18,20,22-25H,10-11H2,(H,21,26)/t15-,16+,17+,18-,20+/m1/s1

InChIKey

FSMWGHKWKYCPKE-QTVCLEQKSA-N

Compound name

N-benzyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide

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]+	390.15474	189.7
[M+Na]+	412.13668	192.8
[M-H]-	388.14018	194.4
[M+NH4]+	407.18128	196.1
[M+K]+	428.11062	190.5
[M+H-H2O]+	372.14472	180.5
[M+HCOO]-	434.14566	203.4
[M+CH3COO]-	448.16131	214.7
[M+Na-2H]-	410.12213	189.4
[M]+	389.14691	187.3
[M]-	389.14801	187.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

390.15474

189.7

[M+Na]+

412.13668

192.8

[M-H]-

388.14018

194.4

[M+NH4]+

407.18128

196.1

[M+K]+

428.11062

190.5

[M+H-H2O]+

372.14472

180.5

[M+HCOO]-

434.14566

203.4

[M+CH3COO]-

448.16131

214.7

[M+Na-2H]-

410.12213

189.4

[M]+

389.14691

187.3

[M]-

389.14801

187.3

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

N-benzyl-3-(alpha-d-galactopyranosyloxy)benzamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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