CID 18352255

4'-cyanobenzylidene-4-butoxyaniline

Structural Information

Molecular Formula
C18H18N2O
SMILES
CCCCOC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C#N
InChI
InChI=1S/C18H18N2O/c1-2-3-12-21-18-10-8-17(9-11-18)20-14-16-6-4-15(13-19)5-7-16/h4-11,14H,2-3,12H2,1H3
InChIKey
NFABQUNUXAXGBJ-UHFFFAOYSA-N
Compound name
4-[(4-butoxyphenyl)iminomethyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

81
Patents

278.1419 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.149176 168.6
[M+Na]+ 301.131118 177.7
[M-H]- 277.134624 174.7
[M+NH4]+ 296.175723 183.1
[M+K]+ 317.105058 171.7
[M+H-H2O]+ 261.139160 153.7
[M+HCOO]- 323.140101 190.4
[M+CH3COO]- 337.155751 215.2
[M+Na-2H]- 299.116566 172.9
[M]+ 278.14135142 165.9
[M]- 278.14244858 165.9
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