CID 106190

Ns00120080

Structural Information

Molecular Formula

C₂₁H₂₂N₂O

SMILES

CC1CC(=CC2=CC=C(C=C2)N)C(=O)C(=CC3=CC=C(C=C3)N)C1

InChI

InChI=1S/C21H22N2O/c1-14-10-17(12-15-2-6-19(22)7-3-15)21(24)18(11-14)13-16-4-8-20(23)9-5-16/h2-9,12-14H,10-11,22-23H2,1H3

InChIKey

AHILZYFVSFKAKS-UHFFFAOYSA-N

Compound name

2,6-bis[(4-aminophenyl)methylidene]-4-methylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 318.17322 Da
Monoisotopic Mass: 4.0
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]+	319.180496	178.9
[M+Na]+	341.162438	184.7
[M-H]-	317.165944	187.3
[M+NH4]+	336.207043	192.2
[M+K]+	357.136378	177.3
[M+H-H2O]+	301.170480	169.9
[M+HCOO]-	363.171421	199.4
[M+CH3COO]-	377.187071	213.3
[M+Na-2H]-	339.147886	177.8
[M]+	318.17267142	171.3
[M]-	318.17376858	171.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe