CID 512611

N'-benzoyl-1-(4-chlorophenyl)-4-hydroxy-pyrazole-3-carbohydrazide

Structural Information

Molecular Formula
C17H13ClN4O3
SMILES
C1=CC=C(C=C1)C(=O)NNC(=O)C2=NN(C=C2O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H13ClN4O3/c18-12-6-8-13(9-7-12)22-10-14(23)15(21-22)17(25)20-19-16(24)11-4-2-1-3-5-11/h1-10,23H,(H,19,24)(H,20,25)
InChIKey
CKNSMWAAZRTSBI-UHFFFAOYSA-N
Compound name
N'-benzoyl-1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.06763 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.07491 179.5
[M+Na]+ 379.05685 186.9
[M-H]- 355.06035 186.2
[M+NH4]+ 374.10145 190.6
[M+K]+ 395.03079 181.0
[M+H-H2O]+ 339.06489 170.1
[M+HCOO]- 401.06583 197.4
[M+CH3COO]- 415.08148 211.6
[M+Na-2H]- 377.04230 181.8
[M]+ 356.06708 180.6
[M]- 356.06818 180.6
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.