PubChemLite - 1-[2-(1,3-benzoxazol-2-yl)ethoxy]-2,6-bis(4-methoxyphenyl)piperidin-4-one oxime (C28H29N3O5)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C2CC(=NO)CC(N2OCCC3=NC4=CC=CC=C4O3)C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H29N3O5/c1-33-22-11-7-19(8-12-22)25-17-21(30-32)18-26(20-9-13-23(34-2)14-10-20)31(25)35-16-15-28-29-24-5-3-4-6-27(24)36-28/h3-14,25-26,32H,15-18H2,1-2H3

InChIKey

DCTHNJHAVWVGRY-UHFFFAOYSA-N

Compound name

N-[1-[2-(1,3-benzoxazol-2-yl)ethoxy]-2,6-bis(4-methoxyphenyl)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]+	488.21800	218.4
[M+Na]+	510.19994	224.1
[M-H]-	486.20344	229.8
[M+NH4]+	505.24454	223.1
[M+K]+	526.17388	219.8
[M+H-H2O]+	470.20798	205.3
[M+HCOO]-	532.20892	235.9
[M+CH3COO]-	546.22457	225.9
[M+Na-2H]-	508.18539	218.6
[M]+	487.21017	222.5
[M]-	487.21127	222.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

488.21800

218.4

[M+Na]+

510.19994

224.1

[M-H]-

486.20344

229.8

[M+NH4]+

505.24454

223.1

[M+K]+

526.17388

219.8

[M+H-H2O]+

470.20798

205.3

[M+HCOO]-

532.20892

235.9

[M+CH3COO]-

546.22457

225.9

[M+Na-2H]-

508.18539

218.6

[M]+

487.21017

222.5

[M]-

487.21127

222.5

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-methoxyphenyl)piperidin-4-one oxime

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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