CID 38683

Clazolimine

Structural Information

Molecular Formula

C₁₀H₁₀ClN₃O

SMILES

CN1C(=O)CN(C1=N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C10H10ClN3O/c1-13-9(15)6-14(10(13)12)8-4-2-7(11)3-5-8/h2-5,12H,6H2,1H3

InChIKey

TUQAUZURSHKTFF-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-2-imino-3-methylimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 232
Patents: 223.05124 Da
Monoisotopic Mass: 1.6
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]+	224.058516	147.9
[M+Na]+	246.040458	158.2
[M-H]-	222.043964	152.4
[M+NH4]+	241.085063	166.2
[M+K]+	262.014398	153.0
[M+H-H2O]+	206.048500	140.7
[M+HCOO]-	268.049441	165.7
[M+CH3COO]-	282.065091	189.5
[M+Na-2H]-	244.025906	150.4
[M]+	223.05069142	147.2
[M]-	223.05178858	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe