CID 367874

Nsc638040

Structural Information

Molecular Formula
C23H19ClN2O3
SMILES
C1C(=NN(C1(C2=CC=CC=C2)O)C(=O)COC3=CC=CC=C3Cl)C4=CC=CC=C4
InChI
InChI=1S/C23H19ClN2O3/c24-19-13-7-8-14-21(19)29-16-22(27)26-23(28,18-11-5-2-6-12-18)15-20(25-26)17-9-3-1-4-10-17/h1-14,28H,15-16H2
InChIKey
YOYPQYYIQSJLJH-UHFFFAOYSA-N
Compound name
2-(2-chlorophenoxy)-1-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.10843 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.11571 195.6
[M+Na]+ 429.09765 203.3
[M-H]- 405.10115 204.5
[M+NH4]+ 424.14225 206.5
[M+K]+ 445.07159 196.1
[M+H-H2O]+ 389.10569 184.6
[M+HCOO]- 451.10663 209.8
[M+CH3COO]- 465.12228 204.7
[M+Na-2H]- 427.08310 196.6
[M]+ 406.10788 197.5
[M]- 406.10898 197.5
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.