CID 13405513

Brn 5541799

Structural Information

Molecular Formula
C17H15NO2
SMILES
CC(=O)OC1=CC=CC=C1/C=C/C=NC2=CC=CC=C2
InChI
InChI=1S/C17H15NO2/c1-14(19)20-17-12-6-5-8-15(17)9-7-13-18-16-10-3-2-4-11-16/h2-13H,1H3/b9-7+,18-13?
InChIKey
TUHUUPVYWJACSP-LRVKHMEKSA-N
Compound name
[2-[(E)-3-phenyliminoprop-1-enyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1103 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.117576 161.4
[M+Na]+ 288.099518 167.9
[M-H]- 264.103024 169.1
[M+NH4]+ 283.144123 177.9
[M+K]+ 304.073458 163.9
[M+H-H2O]+ 248.107560 153.0
[M+HCOO]- 310.108501 187.3
[M+CH3COO]- 324.124151 200.1
[M+Na-2H]- 286.084966 166.7
[M]+ 265.10975142 162.9
[M]- 265.11084858 162.9
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.