CID 40424582

N-(4-ethoxybenzylidene)-4-acetylaniline

Structural Information

Molecular Formula
C17H17NO2
SMILES
CCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C17H17NO2/c1-3-20-17-10-4-14(5-11-17)12-18-16-8-6-15(7-9-16)13(2)19/h4-12H,3H2,1-2H3
InChIKey
HCDYNBNSFSMUIM-UHFFFAOYSA-N
Compound name
1-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

267.12592 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.133196 161.8
[M+Na]+ 290.115138 168.8
[M-H]- 266.118644 169.8
[M+NH4]+ 285.159743 178.5
[M+K]+ 306.089078 165.5
[M+H-H2O]+ 250.123180 153.4
[M+HCOO]- 312.124121 187.5
[M+CH3COO]- 326.139771 203.4
[M+Na-2H]- 288.100586 166.4
[M]+ 267.12537142 164.6
[M]- 267.12646858 164.6
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