CID 2803521

Oprea1_502776

Structural Information

Molecular Formula

C₁₉H₂₂N₂O

SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)C(=NN)C2=CC=CC=C2)C)C

InChI

InChI=1S/C19H22N2O/c1-11-12(2)14(4)17(15(5)13(11)3)19(22)18(21-20)16-9-7-6-8-10-16/h6-10H,20H2,1-5H3

InChIKey

PKPLICUVJGFQLF-UHFFFAOYSA-N

Compound name

2-hydrazinylidene-1-(2,3,4,5,6-pentamethylphenyl)-2-phenylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 294.17322 Da
Monoisotopic Mass: 5.2
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]+	295.180496	171.9
[M+Na]+	317.162438	179.8
[M-H]-	293.165944	180.3
[M+NH4]+	312.207043	187.9
[M+K]+	333.136378	175.9
[M+H-H2O]+	277.170480	164.0
[M+HCOO]-	339.171421	196.1
[M+CH3COO]-	353.187071	216.3
[M+Na-2H]-	315.147886	171.4
[M]+	294.17267142	172.9
[M]-	294.17376858	172.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.