PubChemLite - 1-[2-(1h-benzimidazol-2-yl)ethoxy]-2,6-bis(4-chlorophenyl)piperidin-4-one oxime (C26H24Cl2N4O2)

Structural Information

Molecular Formula

SMILES

C1C(N(C(CC1=NO)C2=CC=C(C=C2)Cl)OCCC3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H24Cl2N4O2/c27-19-9-5-17(6-10-19)24-15-21(31-33)16-25(18-7-11-20(28)12-8-18)32(24)34-14-13-26-29-22-3-1-2-4-23(22)30-26/h1-12,24-25,33H,13-16H2,(H,29,30)

InChIKey

NMOWUVYUKFZPPJ-UHFFFAOYSA-N

Compound name

N-[1-[2-(1H-benzimidazol-2-yl)ethoxy]-2,6-bis(4-chlorophenyl)piperidin-4-ylidene]hydroxylamine

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]+	495.13490	217.0
[M+Na]+	517.11684	224.9
[M-H]-	493.12034	224.1
[M+NH4]+	512.16144	222.6
[M+K]+	533.09078	214.9
[M+H-H2O]+	477.12488	204.3
[M+HCOO]-	539.12582	223.3
[M+CH3COO]-	553.14147	223.3
[M+Na-2H]-	515.10229	215.9
[M]+	494.12707	218.7
[M]-	494.12817	218.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

495.13490

217.0

[M+Na]+

517.11684

224.9

[M-H]-

493.12034

224.1

[M+NH4]+

512.16144

222.6

[M+K]+

533.09078

214.9

[M+H-H2O]+

477.12488

204.3

[M+HCOO]-

539.12582

223.3

[M+CH3COO]-

553.14147

223.3

[M+Na-2H]-

515.10229

215.9

[M]+

494.12707

218.7

[M]-

494.12817

218.7

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

1-[2-(1h-benzimidazol-2-yl)ethoxy]-2,6-bis(4-chlorophenyl)piperidin-4-one oxime

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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