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]+ 266.11758 161.4
[M+Na]+ 288.09952 167.9
[M-H]- 264.10302 169.1
[M+NH4]+ 283.14412 177.9
[M+K]+ 304.07346 163.9
[M+H-H2O]+ 248.10756 153.0
[M+HCOO]- 310.10850 187.3
[M+CH3COO]- 324.12415 200.1
[M+Na-2H]- 286.08497 166.7
[M]+ 265.10975 162.9
[M]- 265.11085 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.