CID 68903

Dinazafone

Structural Information

Molecular Formula

C₂₀H₂₁ClN₂O₂

SMILES

CC(=C)CNCC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H21ClN2O2/c1-14(2)12-22-13-19(24)23(3)18-10-9-16(21)11-17(18)20(25)15-7-5-4-6-8-15/h4-11,22H,1,12-13H2,2-3H3

InChIKey

QJPROCZAUFTKEV-UHFFFAOYSA-N

Compound name

N-(2-benzoyl-4-chlorophenyl)-N-methyl-2-(2-methylprop-2-enylamino)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 31
Patents: 356.12915 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

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]+	357.136426	185.6
[M+Na]+	379.118368	190.6
[M-H]-	355.121874	193.1
[M+NH4]+	374.162973	198.9
[M+K]+	395.092308	185.9
[M+H-H2O]+	339.126410	177.6
[M+HCOO]-	401.127351	204.1
[M+CH3COO]-	415.143001	222.7
[M+Na-2H]-	377.103816	185.0
[M]+	356.12860142	188.7
[M]-	356.12969858	188.7

Literature stripe

literature stripe

Patent stripe

patents stripe