CID 2952118

Rhodblock 1a

Structural Information

Molecular Formula

C₂₀H₁₆N₂O₂

SMILES

C1C(N(N=C1C2=CC=CC=C2)C(=O)C3=CC=CO3)C4=CC=CC=C4

InChI

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

InChIKey

VEIXLXIVAMCBLZ-UHFFFAOYSA-N

Compound name

(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-(furan-2-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 316.1212 Da
Monoisotopic Mass: 3.8
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]+	317.12848	172.7
[M+Na]+	339.11042	179.8
[M-H]-	315.11392	184.0
[M+NH4]+	334.15502	185.6
[M+K]+	355.08436	175.9
[M+H-H2O]+	299.11846	163.0
[M+HCOO]-	361.11940	193.8
[M+CH3COO]-	375.13505	184.2
[M+Na-2H]-	337.09587	173.2
[M]+	316.12065	172.6
[M]-	316.12175	172.6

Literature stripe

literature stripe

Patent stripe

patents stripe