PubChemLite - 1-[2-(1h-benzimidazol-2-yl)ethoxy]-2,6-bis(4-methoxyphenyl)piperidin-4-one oxime (C28H30N4O4)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C2CC(=NO)CC(N2OCCC3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H30N4O4/c1-34-22-11-7-19(8-12-22)26-17-21(31-33)18-27(20-9-13-23(35-2)14-10-20)32(26)36-16-15-28-29-24-5-3-4-6-25(24)30-28/h3-14,26-27,33H,15-18H2,1-2H3,(H,29,30)

InChIKey

FKBUQPZJOILBHB-UHFFFAOYSA-N

Compound name

N-[1-[2-(1H-benzimidazol-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]+	487.23398	217.9
[M+Na]+	509.21592	223.0
[M-H]-	485.21942	226.0
[M+NH4]+	504.26052	221.9
[M+K]+	525.18986	215.9
[M+H-H2O]+	469.22396	204.4
[M+HCOO]-	531.22490	233.4
[M+CH3COO]-	545.24055	224.1
[M+Na-2H]-	507.20137	217.5
[M]+	486.22615	218.7
[M]-	486.22725	218.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

487.23398

217.9

[M+Na]+

509.21592

223.0

[M-H]-

485.21942

226.0

[M+NH4]+

504.26052

221.9

[M+K]+

525.18986

215.9

[M+H-H2O]+

469.22396

204.4

[M+HCOO]-

531.22490

233.4

[M+CH3COO]-

545.24055

224.1

[M+Na-2H]-

507.20137

217.5

[M]+

486.22615

218.7

[M]-

486.22725

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-methoxyphenyl)piperidin-4-one oxime

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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