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
1
Annotation Hits

0
References

228
Patents

223.05124 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05852 147.9
[M+Na]+ 246.04046 158.2
[M-H]- 222.04396 152.4
[M+NH4]+ 241.08506 166.2
[M+K]+ 262.01440 153.0
[M+H-H2O]+ 206.04850 140.7
[M+HCOO]- 268.04944 165.7
[M+CH3COO]- 282.06509 189.5
[M+Na-2H]- 244.02591 150.4
[M]+ 223.05069 147.2
[M]- 223.05179 147.2
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.