CID 9652878

477735-09-4

Structural Information

Molecular Formula
C25H21ClN4O3
SMILES
COC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)COC3=CC=CC=C3Cl)C4=CC=CC=C4
InChI
InChI=1S/C25H21ClN4O3/c1-32-21-13-11-18(12-14-21)25-19(16-30(29-25)20-7-3-2-4-8-20)15-27-28-24(31)17-33-23-10-6-5-9-22(23)26/h2-16H,17H2,1H3,(H,28,31)/b27-15+
InChIKey
OTEKJOULHJEHSA-JFLMPSFJSA-N
Compound name
2-(2-chlorophenoxy)-N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.13022 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.13750 210.2
[M+Na]+ 483.11944 217.0
[M-H]- 459.12294 221.6
[M+NH4]+ 478.16404 217.7
[M+K]+ 499.09338 210.1
[M+H-H2O]+ 443.12748 197.5
[M+HCOO]- 505.12842 230.0
[M+CH3COO]- 519.14407 219.0
[M+Na-2H]- 481.10489 211.6
[M]+ 460.12967 215.8
[M]- 460.13077 215.8
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.