CID 23369117

4'-(amyloxy)benzylidene-4-cyanoaniline

Structural Information

Molecular Formula
C19H20N2O
SMILES
CCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C19H20N2O/c1-2-3-4-13-22-19-11-7-17(8-12-19)15-21-18-9-5-16(14-20)6-10-18/h5-12,15H,2-4,13H2,1H3
InChIKey
IUWUDHSOMQRZCV-UHFFFAOYSA-N
Compound name
4-[(4-pentoxyphenyl)methylideneamino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36
Patents

292.15756 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16484 172.5
[M+Na]+ 315.14678 181.2
[M-H]- 291.15028 178.4
[M+NH4]+ 310.19138 186.5
[M+K]+ 331.12072 174.9
[M+H-H2O]+ 275.15482 157.4
[M+HCOO]- 337.15576 194.0
[M+CH3COO]- 351.17141 217.9
[M+Na-2H]- 313.13223 176.4
[M]+ 292.15701 170.1
[M]- 292.15811 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe