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]+ 293.12848 168.3
[M+Na]+ 315.11042 177.6
[M-H]- 291.11392 176.0
[M+NH4]+ 310.15502 182.8
[M+K]+ 331.08436 172.0
[M+H-H2O]+ 275.11846 158.7
[M+HCOO]- 337.11940 190.1
[M+CH3COO]- 351.13505 201.9
[M+Na-2H]- 313.09587 169.9
[M]+ 292.12065 169.4
[M]- 292.12175 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.