PubChemLite - 3-[(3,4-dichlorophenyl)methyl-[3-(4-methoxy-2-pyridyl)-3-oxo-propanoyl]amino]-n,n-dimethyl-benzamide (C25H23Cl2N3O4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H23Cl2N3O4/c1-29(2)25(33)17-5-4-6-18(12-17)30(15-16-7-8-20(26)21(27)11-16)24(32)14-23(31)22-13-19(34-3)9-10-28-22/h4-13H,14-15H2,1-3H3

InChIKey

MZHZDFGVLMANKS-UHFFFAOYSA-N

Compound name

3-[(3,4-dichlorophenyl)methyl-[3-(4-methoxypyridin-2-yl)-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]+	500.11385	214.0
[M+Na]+	522.09579	219.8
[M-H]-	498.09929	224.2
[M+NH4]+	517.14039	221.1
[M+K]+	538.06973	215.9
[M+H-H2O]+	482.10383	203.9
[M+HCOO]-	544.10477	226.6
[M+CH3COO]-	558.12042	248.5
[M+Na-2H]-	520.08124	211.7
[M]+	499.10602	223.4
[M]-	499.10712	223.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

500.11385

214.0

[M+Na]+

522.09579

219.8

[M-H]-

498.09929

224.2

[M+NH4]+

517.14039

221.1

[M+K]+

538.06973

215.9

[M+H-H2O]+

482.10383

203.9

[M+HCOO]-

544.10477

226.6

[M+CH3COO]-

558.12042

248.5

[M+Na-2H]-

520.08124

211.7

[M]+

499.10602

223.4

[M]-

499.10712

223.4

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

3-[(3,4-dichlorophenyl)methyl-[3-(4-methoxy-2-pyridyl)-3-oxo-propanoyl]amino]-n,n-dimethyl-benzamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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