CID 3038274

Brn 0690785

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]+ 318.16008 176.1
[M+Na]+ 340.14202 182.7
[M-H]- 316.14552 184.9
[M+NH4]+ 335.18662 189.1
[M+K]+ 356.11596 176.2
[M+H-H2O]+ 300.15006 165.0
[M+HCOO]- 362.15100 195.0
[M+CH3COO]- 376.16665 186.2
[M+Na-2H]- 338.12747 174.2
[M]+ 317.15225 172.0
[M]- 317.15335 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.