108041-11-8 (C29H26N2O2)

Structural Information

Molecular Formula

SMILES

C1CCC(=N/N=C\2/C(C(=O)C3=CC=CC=C32)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)CC1

InChI

InChI=1S/C29H26N2O2/c32-28-24-19-11-10-18-23(24)27(31-30-22-16-8-3-9-17-22)26(28)29(33)25(20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1-2,4-7,10-15,18-19,25-26H,3,8-9,16-17H2/b31-27+

InChIKey

CULXSTLNPHOSFZ-TVKQRKNISA-N

Compound name

(3Z)-3-(cyclohexylidenehydrazinylidene)-2-(2,2-diphenylacetyl)inden-1-one

Related CIDs

2D Structure

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]+	435.206706	205.9
[M+Na]+	457.188648	207.5
[M-H]-	433.192154	219.8
[M+NH4]+	452.233253	216.7
[M+K]+	473.162588	201.2
[M+H-H2O]+	417.196690	194.1
[M+HCOO]-	479.197631	226.1
[M+CH3COO]-	493.213281	213.6
[M+Na-2H]-	455.174096	204.2
[M]+	434.19888142	200.3
[M]-	434.19997858	200.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

435.206706

205.9

[M+Na]+

457.188648

207.5

[M-H]-

433.192154

219.8

[M+NH4]+

452.233253

216.7

[M+K]+

473.162588

201.2

[M+H-H2O]+

417.196690

194.1

[M+HCOO]-

479.197631

226.1

[M+CH3COO]-

493.213281

213.6

[M+Na-2H]-

455.174096

204.2

[M]+

434.19888142

200.3

[M]-

434.19997858

200.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

108041-11-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe