CID 41386

Muzolimine

Structural Information

Molecular Formula

C₁₁H₁₁Cl₂N₃O

SMILES

CC(C1=CC(=C(C=C1)Cl)Cl)N2C(=O)CC(=N2)N

InChI

InChI=1S/C11H11Cl2N3O/c1-6(16-11(17)5-10(14)15-16)7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H2,14,15)

InChIKey

RLWRMIYXDPXIEX-UHFFFAOYSA-N

Compound name

5-amino-2-[1-(3,4-dichlorophenyl)ethyl]-4H-pyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 91
References: 4279
Patents: 271.02792 Da
Monoisotopic Mass: 2.0
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]+	272.03520	158.5
[M+Na]+	294.01714	169.0
[M-H]-	270.02064	162.0
[M+NH4]+	289.06174	175.1
[M+K]+	309.99108	162.9
[M+H-H2O]+	254.02518	151.6
[M+HCOO]-	316.02612	170.4
[M+CH3COO]-	330.04177	197.7
[M+Na-2H]-	292.00259	158.5
[M]+	271.02737	159.8
[M]-	271.02847	159.8

Literature stripe

literature stripe

Patent stripe

patents stripe