CID 6882369

328922-22-1

Structural Information

Molecular Formula

C₂₂H₂₀Cl₂N₂O₂

SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H20Cl2N2O2/c1-22(2,3)16-7-4-14(5-8-16)21(27)26-25-13-17-9-11-20(28-17)15-6-10-18(23)19(24)12-15/h4-13H,1-3H3,(H,26,27)/b25-13+

InChIKey

KLIRWJWBKPHESD-DHRITJCHSA-N

Compound name

4-tert-butyl-N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 414.09018 Da
Monoisotopic Mass: 6.8
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]+	415.097456	204.4
[M+Na]+	437.079398	213.0
[M-H]-	413.082904	215.8
[M+NH4]+	432.124003	217.0
[M+K]+	453.053338	206.8
[M+H-H2O]+	397.087440	196.6
[M+HCOO]-	459.088381	219.0
[M+CH3COO]-	473.104031	228.0
[M+Na-2H]-	435.064846	205.0
[M]+	414.08963142	211.0
[M]-	414.09072858	211.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe