CID 613862

4'-cyanobenzylidene-4-hexyloxyaniline

Structural Information

Molecular Formula
C20H22N2O
SMILES
CCCCCCOC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C#N
InChI
InChI=1S/C20H22N2O/c1-2-3-4-5-14-23-20-12-10-19(11-13-20)22-16-18-8-6-17(15-21)7-9-18/h6-13,16H,2-5,14H2,1H3
InChIKey
CDYNAVAHDOMZAZ-UHFFFAOYSA-N
Compound name
4-[(4-hexoxyphenyl)iminomethyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

306.17322 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 176.4
[M+Na]+ 329.16244 184.7
[M-H]- 305.16594 182.1
[M+NH4]+ 324.20704 189.9
[M+K]+ 345.13638 178.2
[M+H-H2O]+ 289.17048 161.1
[M+HCOO]- 351.17142 197.6
[M+CH3COO]- 365.18707 220.6
[M+Na-2H]- 327.14789 179.8
[M]+ 306.17267 174.3
[M]- 306.17377 174.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe