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]+ 269.12848 161.4
[M+Na]+ 291.11042 167.1
[M-H]- 267.11392 169.1
[M+NH4]+ 286.15502 177.5
[M+K]+ 307.08436 163.9
[M+H-H2O]+ 251.11846 152.6
[M+HCOO]- 313.11940 188.5
[M+CH3COO]- 327.13505 203.5
[M+Na-2H]- 289.09587 167.7
[M]+ 268.12065 162.6
[M]- 268.12175 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.