CID 170099

Einecs 254-086-1

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

105
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 173.8
[M+Na]+ 313.16750 182.3
[M-H]- 289.17100 179.6
[M+NH4]+ 308.21210 188.0
[M+K]+ 329.14144 175.2
[M+H-H2O]+ 273.17554 158.8
[M+HCOO]- 335.17648 194.9
[M+CH3COO]- 349.19213 218.8
[M+Na-2H]- 311.15295 177.2
[M]+ 290.17773 170.5
[M]- 290.17883 170.5
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