CID 36242

Procymidone

Structural Information

Molecular Formula

C₁₃H₁₁Cl₂NO₂

SMILES

CC12CC1(C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C

InChI

InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3

InChIKey

QXJKBPAVAHBARF-UHFFFAOYSA-N

Compound name

3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 259
References: 38550
Patents: 283.0167 Da
Monoisotopic Mass: 3.0
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]+	284.023976	157.2
[M+Na]+	306.005918	171.7
[M-H]-	282.009424	164.2
[M+NH4]+	301.050523	175.3
[M+K]+	321.979858	165.5
[M+H-H2O]+	266.013960	153.7
[M+HCOO]-	328.014901	168.8
[M+CH3COO]-	342.030551	170.3
[M+Na-2H]-	303.991366	160.5
[M]+	283.01615142	164.7
[M]-	283.01724858	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe