CID 16077237

3-methyl-1-phenyl-4-(4-phenylbenzoyl)-pyrazol-5-one

Structural Information

Molecular Formula
C23H18N2O2
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H18N2O2/c1-16-21(23(27)25(24-16)20-10-6-3-7-11-20)22(26)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2-15,24H,1H3
InChIKey
HFLFBJAWQWPOLX-UHFFFAOYSA-N
Compound name
5-methyl-2-phenyl-4-(4-phenylbenzoyl)-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.13684 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14412 184.9
[M+Na]+ 377.12606 193.1
[M-H]- 353.12956 194.4
[M+NH4]+ 372.17066 195.3
[M+K]+ 393.10000 185.5
[M+H-H2O]+ 337.13410 174.0
[M+HCOO]- 399.13504 204.9
[M+CH3COO]- 413.15069 195.0
[M+Na-2H]- 375.11151 185.4
[M]+ 354.13629 183.9
[M]- 354.13739 183.9
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.