CID 170810

Einecs 256-476-7

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
2
Annotation Hits

0
References

12
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 169.9
[M+Na]+ 299.15188 178.8
[M-H]- 275.15538 175.9
[M+NH4]+ 294.19648 184.6
[M+K]+ 315.12582 171.9
[M+H-H2O]+ 259.15992 155.1
[M+HCOO]- 321.16086 191.3
[M+CH3COO]- 335.17651 216.1
[M+Na-2H]- 297.13733 173.8
[M]+ 276.16211 166.3
[M]- 276.16321 166.3
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