CID 613862

54842-56-7

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 178.0
[M+Na]+ 329.16244 191.2
[M+NH4]+ 324.20704 182.6
[M+K]+ 345.13638 178.3
[M-H]- 305.16594 175.9
[M+Na-2H]- 327.14789 183.7
[M]+ 306.17267 178.6
[M]- 306.17377 178.6
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