PubChemLite - Pyribenzoxim (C32H27N5O8)

Structural Information

Molecular Formula

SMILES

COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)ON=C(C4=CC=CC=C4)C5=CC=CC=C5)OC

InChI

InChI=1S/C32H27N5O8/c1-39-24-18-25(40-2)34-31(33-24)43-22-16-11-17-23(44-32-35-26(41-3)19-27(36-32)42-4)28(22)30(38)45-37-29(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-19H,1-4H3

InChIKey

OVXMBIVWNJDDSM-UHFFFAOYSA-N

Compound name

(benzhydrylideneamino) 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate

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]+	610.19328	242.5
[M+Na]+	632.17522	246.2
[M-H]-	608.17872	253.7
[M+NH4]+	627.21982	236.9
[M+K]+	648.14916	243.5
[M+H-H2O]+	592.18326	224.4
[M+HCOO]-	654.18420	259.3
[M+CH3COO]-	668.19985	263.1
[M+Na-2H]-	630.16067	244.4
[M]+	609.18545	251.1
[M]-	609.18655	251.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

610.19328

242.5

[M+Na]+

632.17522

246.2

[M-H]-

608.17872

253.7

[M+NH4]+

627.21982

236.9

[M+K]+

648.14916

243.5

[M+H-H2O]+

592.18326

224.4

[M+HCOO]-

654.18420

259.3

[M+CH3COO]-

668.19985

263.1

[M+Na-2H]-

630.16067

244.4

[M]+

609.18545

251.1

[M]-

609.18655

251.1

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

Pyribenzoxim

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe