CID 170810

49763-60-2

Structural Information

Molecular Formula
C19H20N2
SMILES
CCCCCC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C19H20N2/c1-2-3-4-5-16-6-8-18(9-7-16)15-21-19-12-10-17(14-20)11-13-19/h6-13,15H,2-5H2,1H3
InChIKey
FCQPUXSTFWFVHK-UHFFFAOYSA-N
Compound name
4-[(4-pentylphenyl)methylideneamino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

276.16266 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16994 171.1
[M+Na]+ 299.15188 184.9
[M+NH4]+ 294.19648 176.4
[M+K]+ 315.12582 171.8
[M-H]- 275.15538 169.4
[M+Na-2H]- 297.13733 177.5
[M]+ 276.16211 171.9
[M]- 276.16321 171.9
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