CID 3038274

23711-44-6

Structural Information

Molecular Formula
C20H19N3O
SMILES
C1CCN(C1)/C=C\2/C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H19N3O/c24-20-18(15-22-13-7-8-14-22)19(16-9-3-1-4-10-16)21-23(20)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2/b18-15-
InChIKey
VGANAQIXRJACJX-SDXDJHTJSA-N
Compound name
(4Z)-2,5-diphenyl-4-(pyrrolidin-1-ylmethylidene)pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1528 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.160076 176.1
[M+Na]+ 340.142018 182.7
[M-H]- 316.145524 184.9
[M+NH4]+ 335.186623 189.1
[M+K]+ 356.115958 176.2
[M+H-H2O]+ 300.150060 165.0
[M+HCOO]- 362.151001 195.0
[M+CH3COO]- 376.166651 186.2
[M+Na-2H]- 338.127466 174.2
[M]+ 317.15225142 172.0
[M]- 317.15334858 172.0
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.