PubChemLite - Methyl (1r,2s)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate (C24H24N2O5)

Structural Information

Molecular Formula

SMILES

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C[C@@]4(C[C@@H]4C(=O)NO)C(=O)OC

InChI

InChI=1S/C24H24N2O5/c1-15-11-17(19-5-3-4-6-21(19)25-15)14-31-18-9-7-16(8-10-18)12-24(23(28)30-2)13-20(24)22(27)26-29/h3-11,20,29H,12-14H2,1-2H3,(H,26,27)/t20-,24+/m1/s1

InChIKey

HJWMYFBKJRVWJY-YKSBVNFPSA-N

Compound name

methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate

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]+	421.17580	199.6
[M+Na]+	443.15774	207.2
[M-H]-	419.16124	207.7
[M+NH4]+	438.20234	205.4
[M+K]+	459.13168	202.7
[M+H-H2O]+	403.16578	190.8
[M+HCOO]-	465.16672	217.8
[M+CH3COO]-	479.18237	228.3
[M+Na-2H]-	441.14319	202.2
[M]+	420.16797	206.0
[M]-	420.16907	206.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

421.17580

199.6

[M+Na]+

443.15774

207.2

[M-H]-

419.16124

207.7

[M+NH4]+

438.20234

205.4

[M+K]+

459.13168

202.7

[M+H-H2O]+

403.16578

190.8

[M+HCOO]-

465.16672

217.8

[M+CH3COO]-

479.18237

228.3

[M+Na-2H]-

441.14319

202.2

[M]+

420.16797

206.0

[M]-

420.16907

206.0

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

Methyl (1r,2s)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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