CID 5395481

18808-85-0

Structural Information

Molecular Formula
C18H16N2O2
SMILES
CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C18H16N2O2/c1-13-17(12-14-8-10-16(22-2)11-9-14)18(21)20(19-13)15-6-4-3-5-7-15/h3-12H,1-2H3/b17-12-
InChIKey
WGISVRVYQCZWOR-ATVHPVEESA-N
Compound name
(4Z)-4-[(4-methoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

292.1212 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.128476 168.3
[M+Na]+ 315.110418 177.6
[M-H]- 291.113924 176.0
[M+NH4]+ 310.155023 182.8
[M+K]+ 331.084358 172.0
[M+H-H2O]+ 275.118460 158.7
[M+HCOO]- 337.119401 190.1
[M+CH3COO]- 351.135051 201.9
[M+Na-2H]- 313.095866 169.9
[M]+ 292.12065142 169.4
[M]- 292.12174858 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.