CID 6888563

634896-62-1

Structural Information

Molecular Formula
C25H20Cl2N4O2
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=C(C=CC=C4Cl)Cl
InChI
InChI=1S/C25H20Cl2N4O2/c1-16-5-7-17(8-6-16)15-33-19-11-9-18(10-12-19)23-13-24(30-29-23)25(32)31-28-14-20-21(26)3-2-4-22(20)27/h2-14H,15H2,1H3,(H,29,30)(H,31,32)/b28-14+
InChIKey
NRQMGHSHPKUHGN-CCVNUDIWSA-N
Compound name
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-[4-[(4-methylphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.09634 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.10362 215.8
[M+Na]+ 501.08556 232.1
[M+NH4]+ 496.13016 222.4
[M+K]+ 517.05950 223.4
[M-H]- 477.08906 223.4
[M+Na-2H]- 499.07101 226.2
[M]+ 478.09579 220.9
[M]- 478.09689 220.9
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.