CID 9635089

634896-68-7

Structural Information

Molecular Formula
C25H21ClN4O2
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H21ClN4O2/c1-17-2-4-19(5-3-17)16-32-22-12-8-20(9-13-22)23-14-24(29-28-23)25(31)30-27-15-18-6-10-21(26)11-7-18/h2-15H,16H2,1H3,(H,28,29)(H,30,31)/b27-15+
InChIKey
PQJNPNBFCGAIIA-JFLMPSFJSA-N
Compound name
N-[(E)-(4-chlorophenyl)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

444.1353 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.14258 209.4
[M+Na]+ 467.12452 224.9
[M+NH4]+ 462.16912 215.9
[M+K]+ 483.09846 216.8
[M-H]- 443.12802 217.3
[M+Na-2H]- 465.10997 220.4
[M]+ 444.13475 214.1
[M]- 444.13585 214.1
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.