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
2
Annotation Hits

0
References

3235
Patents

248.0465 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.053776 155.0
[M+Na]+ 271.035718 166.3
[M-H]- 247.039224 157.8
[M+NH4]+ 266.080323 170.0
[M+K]+ 287.009658 159.8
[M+H-H2O]+ 231.043760 140.5
[M+HCOO]- 293.044701 169.0
[M+CH3COO]- 307.060351 204.7
[M+Na-2H]- 269.021166 156.5
[M]+ 248.04595142 149.2
[M]- 248.04704858 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

literature stripe

Patent stripe

patents stripe