CID 199069

F 2352

Structural Information

Molecular Formula
C11H11ClN6O
SMILES
CC1=NN(C(=O)C1N=NC2=CC(=CC=C2)Cl)C(=N)N
InChI
InChI=1S/C11H11ClN6O/c1-6-9(10(19)18(17-6)11(13)14)16-15-8-4-2-3-7(12)5-8/h2-5,9H,1H3,(H3,13,14)
InChIKey
KRMPGXZMFFECSI-UHFFFAOYSA-N
Compound name
4-[(3-chlorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0683 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07558 163.3
[M+Na]+ 301.05752 172.4
[M-H]- 277.06102 170.6
[M+NH4]+ 296.10212 179.5
[M+K]+ 317.03146 168.2
[M+H-H2O]+ 261.06556 154.4
[M+HCOO]- 323.06650 186.9
[M+CH3COO]- 337.08215 210.7
[M+Na-2H]- 299.04297 166.5
[M]+ 278.06775 163.8
[M]- 278.06885 163.8
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.