CID 212694

Brn 0763842

Structural Information

Molecular Formula
C23H19N3O2
SMILES
COC1=CC=C(C=C1)N=CC2=C(NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H19N3O2/c1-28-20-14-12-18(13-15-20)24-16-21-22(17-8-4-2-5-9-17)25-26(23(21)27)19-10-6-3-7-11-19/h2-16,25H,1H3
InChIKey
FWTGSWGVUUSBTP-UHFFFAOYSA-N
Compound name
4-[(4-methoxyphenyl)iminomethyl]-2,5-diphenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.14774 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15502 190.6
[M+Na]+ 392.13696 207.3
[M+NH4]+ 387.18156 197.8
[M+K]+ 408.11090 199.5
[M-H]- 368.14046 198.4
[M+Na-2H]- 390.12241 202.7
[M]+ 369.14719 195.3
[M]- 369.14829 195.3
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.