PubChemLite - 3-[(3,4-dichlorophenyl)methyl-[3-(3-hydroxy-2-pyridyl)-3-oxo-propanoyl]amino]-n,n-dimethyl-benzamide (C24H21Cl2N3O4)

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=C(C=CC=N3)O

InChI

InChI=1S/C24H21Cl2N3O4/c1-28(2)24(33)16-5-3-6-17(12-16)29(14-15-8-9-18(25)19(26)11-15)22(32)13-21(31)23-20(30)7-4-10-27-23/h3-12,30H,13-14H2,1-2H3

InChIKey

UOAOJDFCZLJROX-UHFFFAOYSA-N

Compound name

3-[(3,4-dichlorophenyl)methyl-[3-(3-hydroxypyridin-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]+	486.09818	209.1
[M+Na]+	508.08012	214.9
[M-H]-	484.08362	218.2
[M+NH4]+	503.12472	216.1
[M+K]+	524.05406	210.5
[M+H-H2O]+	468.08816	199.6
[M+HCOO]-	530.08910	220.6
[M+CH3COO]-	544.10475	243.6
[M+Na-2H]-	506.06557	206.9
[M]+	485.09035	216.4
[M]-	485.09145	216.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

486.09818

209.1

[M+Na]+

508.08012

214.9

[M-H]-

484.08362

218.2

[M+NH4]+

503.12472

216.1

[M+K]+

524.05406

210.5

[M+H-H2O]+

468.08816

199.6

[M+HCOO]-

530.08910

220.6

[M+CH3COO]-

544.10475

243.6

[M+Na-2H]-

506.06557

206.9

[M]+

485.09035

216.4

[M]-

485.09145

216.4

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-(3-hydroxy-2-pyridyl)-3-oxo-propanoyl]amino]-n,n-dimethyl-benzamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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