CID 5331333

4etophcon2 phch

Structural Information

Molecular Formula
C16H16N2O2
SMILES
CCOC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=CC=C2
InChI
InChI=1S/C16H16N2O2/c1-2-20-15-10-8-14(9-11-15)16(19)18-17-12-13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,18,19)/b17-12+
InChIKey
ISDVRJCVOAJCKZ-SFQUDFHCSA-N
Compound name
N-[(E)-benzylideneamino]-4-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1212 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.128476 161.4
[M+Na]+ 291.110418 167.1
[M-H]- 267.113924 169.1
[M+NH4]+ 286.155023 177.5
[M+K]+ 307.084358 163.9
[M+H-H2O]+ 251.118460 152.6
[M+HCOO]- 313.119401 188.5
[M+CH3COO]- 327.135051 203.5
[M+Na-2H]- 289.095866 167.7
[M]+ 268.12065142 162.6
[M]- 268.12174858 162.6
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

No patent data available for this compound.