CID 118801

4-((4-(hexyloxy)benzylidene)amino)benzonitrile

Structural Information

Molecular Formula

C₂₀H₂₂N₂O

SMILES

CCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H22N2O/c1-2-3-4-5-14-23-20-12-8-18(9-13-20)16-22-19-10-6-17(15-21)7-11-19/h6-13,16H,2-5,14H2,1H3

InChIKey

YABQOLANVLHEPV-UHFFFAOYSA-N

Compound name

4-[(4-hexoxyphenyl)methylideneamino]benzonitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 38
Patents: 306.17322 Da
Monoisotopic Mass: 5.2
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]+	307.180496	176.4
[M+Na]+	329.162438	184.7
[M-H]-	305.165944	182.1
[M+NH4]+	324.207043	189.9
[M+K]+	345.136378	178.2
[M+H-H2O]+	289.170480	161.1
[M+HCOO]-	351.171421	197.6
[M+CH3COO]-	365.187071	220.6
[M+Na-2H]-	327.147886	179.8
[M]+	306.17267142	174.3
[M]-	306.17376858	174.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe