CID 533688

17224-18-9

Structural Information

Molecular Formula
C19H21NO2
SMILES
CCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C19H21NO2/c1-3-4-13-22-19-11-5-16(6-12-19)14-20-18-9-7-17(8-10-18)15(2)21/h5-12,14H,3-4,13H2,1-2H3
InChIKey
OCSNPDHAHJRADR-UHFFFAOYSA-N
Compound name
1-[4-[(4-butoxyphenyl)methylideneamino]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

295.15723 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 171.1
[M+Na]+ 318.14645 177.2
[M-H]- 294.14995 178.7
[M+NH4]+ 313.19105 186.7
[M+K]+ 334.12039 173.4
[M+H-H2O]+ 278.15449 162.3
[M+HCOO]- 340.15543 196.1
[M+CH3COO]- 354.17108 209.3
[M+Na-2H]- 316.13190 174.6
[M]+ 295.15668 174.6
[M]- 295.15778 174.6
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