CID 211883

3,5-pyrazolidinedione, 1,2-diphenyl-4-(p-methoxyanilinomethylene)-

Structural Information

Molecular Formula
C23H19N3O3
SMILES
COC1=CC=C(C=C1)N=CC2=C(N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C23H19N3O3/c1-29-20-14-12-17(13-15-20)24-16-21-22(27)25(18-8-4-2-5-9-18)26(23(21)28)19-10-6-3-7-11-19/h2-16,27H,1H3
InChIKey
QEVSWJHEBQUCKY-UHFFFAOYSA-N
Compound name
5-hydroxy-4-[(4-methoxyphenyl)iminomethyl]-1,2-diphenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.14264 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.14992 193.9
[M+Na]+ 408.13186 210.6
[M+NH4]+ 403.17646 200.6
[M+K]+ 424.10580 203.4
[M-H]- 384.13536 201.4
[M+Na-2H]- 406.11731 205.4
[M]+ 385.14209 198.5
[M]- 385.14319 198.5
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.