CID 170099

38690-78-7

Structural Information

Molecular Formula
C20H22N2
SMILES
CCCCCCC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C20H22N2/c1-2-3-4-5-6-17-7-9-19(10-8-17)16-22-20-13-11-18(15-21)12-14-20/h7-14,16H,2-6H2,1H3
InChIKey
MOXOWUJNSDTVNT-UHFFFAOYSA-N
Compound name
4-[(4-hexylphenyl)methylideneamino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

290.17828 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18556 175.2
[M+Na]+ 313.16750 188.8
[M+NH4]+ 308.21210 180.4
[M+K]+ 329.14144 175.5
[M-H]- 289.17100 173.5
[M+Na-2H]- 311.15295 181.3
[M]+ 290.17773 176.0
[M]- 290.17883 176.0
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