CID 9613520

2-(2-chlorophenoxy)-n'-{(e)-[1-phenyl-3-(4-propoxyphenyl)-1h-pyrazol-4-yl]methylidene}acetohydrazide

Structural Information

Molecular Formula
C27H25ClN4O3
SMILES
CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)COC3=CC=CC=C3Cl)C4=CC=CC=C4
InChI
InChI=1S/C27H25ClN4O3/c1-2-16-34-23-14-12-20(13-15-23)27-21(18-32(31-27)22-8-4-3-5-9-22)17-29-30-26(33)19-35-25-11-7-6-10-24(25)28/h3-15,17-18H,2,16,19H2,1H3,(H,30,33)/b29-17+
InChIKey
XBXZFTGKULLSAV-STBIYBPSSA-N
Compound name
2-(2-chlorophenoxy)-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.16153 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.16881 218.8
[M+Na]+ 511.15075 224.6
[M-H]- 487.15425 229.7
[M+NH4]+ 506.19535 225.1
[M+K]+ 527.12469 217.3
[M+H-H2O]+ 471.15879 205.6
[M+HCOO]- 533.15973 237.8
[M+CH3COO]- 547.17538 242.0
[M+Na-2H]- 509.13620 219.1
[M]+ 488.16098 224.9
[M]- 488.16208 224.9
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.