CID 28418

Nimazone

Structural Information

Molecular Formula
C11H9ClN4O
SMILES
C1C(=N)N(C(=O)N1CC#N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H9ClN4O/c12-8-1-3-9(4-2-8)16-10(14)7-15(6-5-13)11(16)17/h1-4,14H,6-7H2
InChIKey
IDCAZKFFVIMCCS-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-4-imino-2-oxoimidazolidin-1-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3213
Patents

248.0465 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.05378 155.0
[M+Na]+ 271.03572 166.3
[M-H]- 247.03922 157.8
[M+NH4]+ 266.08032 170.0
[M+K]+ 287.00966 159.8
[M+H-H2O]+ 231.04376 140.5
[M+HCOO]- 293.04470 169.0
[M+CH3COO]- 307.06035 204.7
[M+Na-2H]- 269.02117 156.5
[M]+ 248.04595 149.2
[M]- 248.04705 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.