PubChemLite - N-[(e)-[(4-bromophenyl)-phenyl-methylene]amino]-2-[2-(2,6-dichloroanilino)phenyl]acetamide (C27H20BrCl2N3O)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)/C(=N\NC(=O)CC2=CC=CC=C2NC3=C(C=CC=C3Cl)Cl)/C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H20BrCl2N3O/c28-21-15-13-19(14-16-21)26(18-7-2-1-3-8-18)33-32-25(34)17-20-9-4-5-12-24(20)31-27-22(29)10-6-11-23(27)30/h1-16,31H,17H2,(H,32,34)/b33-26+

InChIKey

AUBWUCJOMYOLDV-MHTZHOPKSA-N

Compound name

N-[(E)-[(4-bromophenyl)-phenylmethylidene]amino]-2-[2-(2,6-dichloroanilino)phenyl]acetamide

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]+	552.02394	221.5
[M+Na]+	574.00588	229.6
[M-H]-	550.00938	235.0
[M+NH4]+	569.05048	230.5
[M+K]+	589.97982	213.9
[M+H-H2O]+	534.01392	216.8
[M+HCOO]-	596.01486	234.5
[M+CH3COO]-	610.03051	230.3
[M+Na-2H]-	571.99133	223.4
[M]+	551.01611	241.8
[M]-	551.01721	241.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

552.02394

221.5

[M+Na]+

574.00588

229.6

[M-H]-

550.00938

235.0

[M+NH4]+

569.05048

230.5

[M+K]+

589.97982

213.9

[M+H-H2O]+

534.01392

216.8

[M+HCOO]-

596.01486

234.5

[M+CH3COO]-

610.03051

230.3

[M+Na-2H]-

571.99133

223.4

[M]+

551.01611

241.8

[M]-

551.01721

241.8

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

N-[(e)-[(4-bromophenyl)-phenyl-methylene]amino]-2-[2-(2,6-dichloroanilino)phenyl]acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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