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]+ 263.15428 166.0
[M+Na]+ 285.13622 175.2
[M-H]- 261.13972 172.1
[M+NH4]+ 280.18082 181.2
[M+K]+ 301.11016 168.6
[M+H-H2O]+ 245.14426 151.4
[M+HCOO]- 307.14520 187.6
[M+CH3COO]- 321.16085 213.4
[M+Na-2H]- 283.12167 170.3
[M]+ 262.14645 162.1
[M]- 262.14755 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