CID 367878

Nsc638044

Structural Information

Molecular Formula
C24H20Cl2N2O4
SMILES
COC1=CC=C(C=C1)C2=NN(C(C2)(C3=CC=C(C=C3)Cl)O)C(=O)COC4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H20Cl2N2O4/c1-31-20-10-2-16(3-11-20)22-14-24(30,17-4-6-18(25)7-5-17)28(27-22)23(29)15-32-21-12-8-19(26)9-13-21/h2-13,30H,14-15H2,1H3
InChIKey
RWMSKHGRJXBBCW-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-1-[5-(4-chlorophenyl)-5-hydroxy-3-(4-methoxyphenyl)-4H-pyrazol-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.08002 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.08730 206.5
[M+Na]+ 493.06924 215.6
[M-H]- 469.07274 215.3
[M+NH4]+ 488.11384 215.9
[M+K]+ 509.04318 208.5
[M+H-H2O]+ 453.07728 196.0
[M+HCOO]- 515.07822 215.5
[M+CH3COO]- 529.09387 215.1
[M+Na-2H]- 491.05469 205.3
[M]+ 470.07947 212.5
[M]- 470.08057 212.5
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.