PubChemLite - 1-[2-(1,3-benzoxazol-2-yl)ethoxy]-2,6-bis(4-chlorophenyl)piperidin-4-one oxime (C26H23Cl2N3O3)

Structural Information

Molecular Formula

SMILES

C1C(N(C(CC1=NO)C2=CC=C(C=C2)Cl)OCCC3=NC4=CC=CC=C4O3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H23Cl2N3O3/c27-19-9-5-17(6-10-19)23-15-21(30-32)16-24(18-7-11-20(28)12-8-18)31(23)33-14-13-26-29-22-3-1-2-4-25(22)34-26/h1-12,23-24,32H,13-16H2

InChIKey

KLWNANZOUVRCBL-UHFFFAOYSA-N

Compound name

N-[1-[2-(1,3-benzoxazol-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]+	496.11891	219.3
[M+Na]+	518.10085	227.7
[M-H]-	494.10435	229.6
[M+NH4]+	513.14545	225.6
[M+K]+	534.07479	220.3
[M+H-H2O]+	478.10889	207.1
[M+HCOO]-	540.10983	227.5
[M+CH3COO]-	554.12548	226.7
[M+Na-2H]-	516.08630	218.5
[M]+	495.11108	224.2
[M]-	495.11218	224.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

496.11891

219.3

[M+Na]+

518.10085

227.7

[M-H]-

494.10435

229.6

[M+NH4]+

513.14545

225.6

[M+K]+

534.07479

220.3

[M+H-H2O]+

478.10889

207.1

[M+HCOO]-

540.10983

227.5

[M+CH3COO]-

554.12548

226.7

[M+Na-2H]-

516.08630

218.5

[M]+

495.11108

224.2

[M]-

495.11218

224.2

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

1-[2-(1,3-benzoxazol-2-yl)ethoxy]-2,6-bis(4-chlorophenyl)piperidin-4-one oxime

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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