CID 111577

68758-85-0

Structural Information

Molecular Formula

C₂₂H₂₂N₂O₂

SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NN=CC2=C(C=CC3=CC=CC=C32)O

InChI

InChI=1S/C22H22N2O2/c1-22(2,3)17-11-8-16(9-12-17)21(26)24-23-14-19-18-7-5-4-6-15(18)10-13-20(19)25/h4-14,25H,1-3H3,(H,24,26)

InChIKey

QSEQSUVWYBZMLJ-UHFFFAOYSA-N

Compound name

4-tert-butyl-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 49
Patents: 346.16812 Da
Monoisotopic Mass: 5.4
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]+	347.175396	184.2
[M+Na]+	369.157338	190.3
[M-H]-	345.160844	191.7
[M+NH4]+	364.201943	197.9
[M+K]+	385.131278	185.3
[M+H-H2O]+	329.165380	175.6
[M+HCOO]-	391.166321	205.7
[M+CH3COO]-	405.181971	219.0
[M+Na-2H]-	367.142786	189.6
[M]+	346.16757142	184.6
[M]-	346.16866858	184.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.