PubChemLite - 2-chloro-5-[(3,4-dichlorophenyl)methyl-[3-(3-methoxyphenyl)-3-oxo-propanoyl]amino]-n,n-dimethyl-benzamide (C26H23Cl3N2O4)

Structural Information

Molecular Formula

SMILES

CN(C)C(=O)C1=C(C=CC(=C1)N(CC2=CC(=C(C=C2)Cl)Cl)C(=O)CC(=O)C3=CC(=CC=C3)OC)Cl

InChI

InChI=1S/C26H23Cl3N2O4/c1-30(2)26(34)20-13-18(8-10-21(20)27)31(15-16-7-9-22(28)23(29)11-16)25(33)14-24(32)17-5-4-6-19(12-17)35-3/h4-13H,14-15H2,1-3H3

InChIKey

VNBNQTSGAPYZHD-UHFFFAOYSA-N

Compound name

2-chloro-5-[(3,4-dichlorophenyl)methyl-[3-(3-methoxyphenyl)-3-oxopropanoyl]amino]-N,N-dimethylbenzamide

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]+	533.07958	219.1
[M+Na]+	555.06152	225.6
[M-H]-	531.06502	229.4
[M+NH4]+	550.10612	226.9
[M+K]+	571.03546	221.2
[M+H-H2O]+	515.06956	211.0
[M+HCOO]-	577.07050	227.6
[M+CH3COO]-	591.08615	253.2
[M+Na-2H]-	553.04697	214.5
[M]+	532.07175	229.6
[M]-	532.07285	229.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

533.07958

219.1

[M+Na]+

555.06152

225.6

[M-H]-

531.06502

229.4

[M+NH4]+

550.10612

226.9

[M+K]+

571.03546

221.2

[M+H-H2O]+

515.06956

211.0

[M+HCOO]-

577.07050

227.6

[M+CH3COO]-

591.08615

253.2

[M+Na-2H]-

553.04697

214.5

[M]+

532.07175

229.6

[M]-

532.07285

229.6

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

2-chloro-5-[(3,4-dichlorophenyl)methyl-[3-(3-methoxyphenyl)-3-oxo-propanoyl]amino]-n,n-dimethyl-benzamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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