CID 9619613

634895-84-4

Structural Information

Molecular Formula
C25H21ClN4O2
SMILES
C/C(=N\NC(=O)C1=CC(=NN1)C2=CC(=CC=C2)OCC3=CC=CC=C3)/C4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H21ClN4O2/c1-17(19-10-12-21(26)13-11-19)27-30-25(31)24-15-23(28-29-24)20-8-5-9-22(14-20)32-16-18-6-3-2-4-7-18/h2-15H,16H2,1H3,(H,28,29)(H,30,31)/b27-17+
InChIKey
MQFPYZRBLXRGQI-WPWMEQJKSA-N
Compound name
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.1353 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.14258 208.3
[M+Na]+ 467.12452 223.1
[M+NH4]+ 462.16912 214.7
[M+K]+ 483.09846 215.7
[M-H]- 443.12802 215.9
[M+Na-2H]- 465.10997 219.3
[M]+ 444.13475 212.8
[M]- 444.13585 212.8
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.