CID 6507968

Acetone, daih derivative

Structural Information

Molecular Formula

C₂₆H₂₂N₂O₂

SMILES

CC(=N/N=C/1\C(C(=O)C2=CC=CC=C21)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C26H22N2O2/c1-17(2)27-28-24-20-15-9-10-16-21(20)25(29)23(24)26(30)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,22-23H,1-2H3/b28-24-

InChIKey

AGSDZTBXEYDVJT-COOPMVRXSA-N

Compound name

(3E)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 394.16812 Da
Monoisotopic Mass: 4.2
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]+	395.175396	197.3
[M+Na]+	417.157338	201.8
[M-H]-	393.160844	209.9
[M+NH4]+	412.201943	210.9
[M+K]+	433.131278	196.7
[M+H-H2O]+	377.165380	187.2
[M+HCOO]-	439.166321	220.9
[M+CH3COO]-	453.181971	232.1
[M+Na-2H]-	415.142786	196.8
[M]+	394.16757142	197.3
[M]-	394.16866858	197.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.