CID 6888655

634897-25-9

Structural Information

Molecular Formula
C24H18Cl2N4O2
SMILES
C1=CC=C(C(=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H18Cl2N4O2/c25-19-9-5-16(6-10-19)14-27-30-24(31)23-13-22(28-29-23)17-7-11-20(12-8-17)32-15-18-3-1-2-4-21(18)26/h1-14H,15H2,(H,28,29)(H,30,31)/b27-14+
InChIKey
COIYXOBYJORCSK-MZJWZYIUSA-N
Compound name
3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-(4-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.0807 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.08798 209.1
[M+Na]+ 487.06992 216.6
[M-H]- 463.07342 218.4
[M+NH4]+ 482.11452 216.5
[M+K]+ 503.04386 207.6
[M+H-H2O]+ 447.07796 197.5
[M+HCOO]- 509.07890 222.5
[M+CH3COO]- 523.09455 217.1
[M+Na-2H]- 485.05537 209.8
[M]+ 464.08015 213.0
[M]- 464.08125 213.0
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.