CID 135541405

Chembl3892837

Structural Information

Molecular Formula
C20H19Cl2N3O
SMILES
CCCN=C(C1=CC=C(C=C1)Cl)C2=C(NN(C2=O)C3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C20H19Cl2N3O/c1-3-12-23-19(14-4-6-15(21)7-5-14)18-13(2)24-25(20(18)26)17-10-8-16(22)9-11-17/h4-11,24H,3,12H2,1-2H3
InChIKey
HZSPEEZLDFUUPN-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-4-[C-(4-chlorophenyl)-N-propylcarbonimidoyl]-5-methyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

387.0905 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.09778 192.1
[M+Na]+ 410.07972 202.1
[M-H]- 386.08322 198.9
[M+NH4]+ 405.12432 204.0
[M+K]+ 426.05366 193.2
[M+H-H2O]+ 370.08776 182.6
[M+HCOO]- 432.08870 204.4
[M+CH3COO]- 446.10435 201.9
[M+Na-2H]- 408.06517 190.7
[M]+ 387.08995 196.4
[M]- 387.09105 196.4
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

No patent data available for this compound.