CID 118967

Benzonitrile, 4-[[(4-butoxyphenyl)methylene]amino]-

Structural Information

Molecular Formula
C18H18N2O
SMILES
CCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C18H18N2O/c1-2-3-12-21-18-10-6-16(7-11-18)14-20-17-8-4-15(13-19)5-9-17/h4-11,14H,2-3,12H2,1H3
InChIKey
JWLPZJPDDBBWQD-UHFFFAOYSA-N
Compound name
4-[(4-butoxyphenyl)methylideneamino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

278.1419 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.14918 168.6
[M+Na]+ 301.13112 177.7
[M-H]- 277.13462 174.7
[M+NH4]+ 296.17572 183.1
[M+K]+ 317.10506 171.7
[M+H-H2O]+ 261.13916 153.7
[M+HCOO]- 323.14010 190.4
[M+CH3COO]- 337.15575 215.2
[M+Na-2H]- 299.11657 172.9
[M]+ 278.14135 165.9
[M]- 278.14245 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