CID 16227923

929974-84-5

Structural Information

Molecular Formula

C₂₀H₁₆N₂O₂

SMILES

C\1CC2=C(/C1=C/C3=CC=CC=C3)N(N=C2C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C20H16N2O2/c23-20(24)18-17-12-11-15(13-14-7-3-1-4-8-14)19(17)22(21-18)16-9-5-2-6-10-16/h1-10,13H,11-12H2,(H,23,24)/b15-13+

InChIKey

LUIFIKCIOJNWNE-FYWRMAATSA-N

Compound name

(6E)-6-benzylidene-1-phenyl-4,5-dihydrocyclopenta[d]pyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 316.1212 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	317.128476	174.8
[M+Na]+	339.110418	182.5
[M-H]-	315.113924	182.2
[M+NH4]+	334.155023	189.9
[M+K]+	355.084358	176.1
[M+H-H2O]+	299.118460	166.0
[M+HCOO]-	361.119401	194.0
[M+CH3COO]-	375.135051	185.5
[M+Na-2H]-	337.095866	174.4
[M]+	316.12065142	173.4
[M]-	316.12174858	173.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.