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 214.5
[M+Na]+ 501.08556 222.4
[M-H]- 477.08906 224.0
[M+NH4]+ 496.13016 221.6
[M+K]+ 517.05950 213.3
[M+H-H2O]+ 461.09360 202.9
[M+HCOO]- 523.09454 227.5
[M+CH3COO]- 537.11019 222.3
[M+Na-2H]- 499.07101 213.8
[M]+ 478.09579 219.1
[M]- 478.09689 219.1
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.