CID 3078480

121306-83-0

Structural Information

Molecular Formula

C₁₆H₂₀N₂O

SMILES

C1CCC(CC1)C(=O)N2C(CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H20N2O/c19-16(14-9-5-2-6-10-14)18-15(11-12-17-18)13-7-3-1-4-8-13/h1,3-4,7-8,12,14-15H,2,5-6,9-11H2

InChIKey

MUQJZMRWJDLBIO-UHFFFAOYSA-N

Compound name

cyclohexyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 34
Patents: 256.15756 Da
Monoisotopic Mass: 2.8
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]+	257.16484	161.4
[M+Na]+	279.14678	165.1
[M-H]-	255.15028	167.1
[M+NH4]+	274.19138	176.3
[M+K]+	295.12072	161.2
[M+H-H2O]+	239.15482	151.4
[M+HCOO]-	301.15576	178.2
[M+CH3COO]-	315.17141	171.3
[M+Na-2H]-	277.13223	161.9
[M]+	256.15701	154.9
[M]-	256.15811	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe