PubChemLite - (4-{3-[4-(amino(hydroxyimino)methyl)-2-methoxyphenoxy]propoxy}-3-methoxyphenyl)(hydroxyimino)methylamine (C19H24N4O6)

Structural Information

Molecular Formula

SMILES

COC1=C(C=CC(=C1)/C(=N/O)/N)OCCCOC2=C(C=C(C=C2)/C(=N/O)/N)OC

InChI

InChI=1S/C19H24N4O6/c1-26-16-10-12(18(20)22-24)4-6-14(16)28-8-3-9-29-15-7-5-13(19(21)23-25)11-17(15)27-2/h4-7,10-11,24-25H,3,8-9H2,1-2H3,(H2,20,22)(H2,21,23)

InChIKey

NELCSOKBRZAQRH-UHFFFAOYSA-N

Compound name

N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenoxy]propoxy]-3-methoxybenzenecarboximidamide

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]+	405.17688	192.6
[M+Na]+	427.15882	196.0
[M-H]-	403.16232	198.2
[M+NH4]+	422.20342	201.3
[M+K]+	443.13276	195.1
[M+H-H2O]+	387.16686	182.2
[M+HCOO]-	449.16780	217.4
[M+CH3COO]-	463.18345	233.8
[M+Na-2H]-	425.14427	193.0
[M]+	404.16905	195.6
[M]-	404.17015	195.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

405.17688

192.6

[M+Na]+

427.15882

196.0

[M-H]-

403.16232

198.2

[M+NH4]+

422.20342

201.3

[M+K]+

443.13276

195.1

[M+H-H2O]+

387.16686

182.2

[M+HCOO]-

449.16780

217.4

[M+CH3COO]-

463.18345

233.8

[M+Na-2H]-

425.14427

193.0

[M]+

404.16905

195.6

[M]-

404.17015

195.6

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

(4-{3-[4-(amino(hydroxyimino)methyl)-2-methoxyphenoxy]propoxy}-3-methoxyphenyl)(hydroxyimino)methylamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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