CID 51061061

4-((4-chlorobenzyl)oxy)-n'-((1-phenyl-3-(4-propoxyphenyl)-1h-pyrazol-4-yl)methylene)benzohydrazide

Structural Information

Molecular Formula
C33H29ClN4O3
SMILES
CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C5=CC=CC=C5
InChI
InChI=1S/C33H29ClN4O3/c1-2-20-40-30-16-10-25(11-17-30)32-27(22-38(37-32)29-6-4-3-5-7-29)21-35-36-33(39)26-12-18-31(19-13-26)41-23-24-8-14-28(34)15-9-24/h3-19,21-22H,2,20,23H2,1H3,(H,36,39)/b35-21+
InChIKey
GWMOHUQYRIFKOF-XICOUIIWSA-N
Compound name
4-[(4-chlorophenyl)methoxy]-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.1928 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.20008 239.3
[M+Na]+ 587.18202 244.1
[M-H]- 563.18552 252.7
[M+NH4]+ 582.22662 241.8
[M+K]+ 603.15596 235.8
[M+H-H2O]+ 547.19006 224.3
[M+HCOO]- 609.19100 256.9
[M+CH3COO]- 623.20665 245.3
[M+Na-2H]- 585.16747 238.0
[M]+ 564.19225 244.8
[M]- 564.19335 244.8
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.