CID 3084734

4-cyanobenzylidene-4-n-butylaniline

Structural Information

Molecular Formula
C18H18N2
SMILES
CCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C#N
InChI
InChI=1S/C18H18N2/c1-2-3-4-15-9-11-18(12-10-15)20-14-17-7-5-16(13-19)6-8-17/h5-12,14H,2-4H2,1H3
InChIKey
BLMGOWKLIOMCGZ-UHFFFAOYSA-N
Compound name
4-[(4-butylphenyl)iminomethyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

262.147 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.154276 166.0
[M+Na]+ 285.136218 175.2
[M-H]- 261.139724 172.1
[M+NH4]+ 280.180823 181.2
[M+K]+ 301.110158 168.6
[M+H-H2O]+ 245.144260 151.4
[M+HCOO]- 307.145201 187.6
[M+CH3COO]- 321.160851 213.4
[M+Na-2H]- 283.121666 170.3
[M]+ 262.14645142 162.1
[M]- 262.14754858 162.1
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