PubChemLite - Isonicotinic acid, 2-maltosylidene hydrazide (C18H27N3O11)

Structural Information

Molecular Formula

SMILES

C1=CN=CC=C1C(=O)N/N=C/C(C(C(C(CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O

InChI

InChI=1S/C18H27N3O11/c22-6-10(25)16(32-18-15(29)14(28)13(27)11(7-23)31-18)12(26)9(24)5-20-21-17(30)8-1-3-19-4-2-8/h1-5,9-16,18,22-29H,6-7H2,(H,21,30)/b20-5+

InChIKey

YSBQRFPHHYAAEK-DENHBWNVSA-N

Compound name

N-[(E)-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylidene]amino]pyridine-4-carboxamide

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]+	462.17183	198.9
[M+Na]+	484.15377	196.4
[M-H]-	460.15727	194.6
[M+NH4]+	479.19837	197.9
[M+K]+	500.12771	198.5
[M+H-H2O]+	444.16181	189.7
[M+HCOO]-	506.16275	204.3
[M+CH3COO]-	520.17840	227.8
[M+Na-2H]-	482.13922	230.2
[M]+	461.16400	195.1
[M]-	461.16510	195.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

462.17183

198.9

[M+Na]+

484.15377

196.4

[M-H]-

460.15727

194.6

[M+NH4]+

479.19837

197.9

[M+K]+

500.12771

198.5

[M+H-H2O]+

444.16181

189.7

[M+HCOO]-

506.16275

204.3

[M+CH3COO]-

520.17840

227.8

[M+Na-2H]-

482.13922

230.2

[M]+

461.16400

195.1

[M]-

461.16510

195.1

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

Isonicotinic acid, 2-maltosylidene hydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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