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

29
Patents

306.17322 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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