CID 6875586

316131-42-7

Structural Information

Molecular Formula
C21H18N2O3
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=N/NC(=O)C3=CC=CC=C3O
InChI
InChI=1S/C21H18N2O3/c24-20-12-5-4-11-19(20)21(25)23-22-14-17-9-6-10-18(13-17)26-15-16-7-2-1-3-8-16/h1-14,24H,15H2,(H,23,25)/b22-14+
InChIKey
KZQVVVKGPPAFHG-HYARGMPZSA-N
Compound name
2-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.13174 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13902 181.1
[M+Na]+ 369.12096 186.1
[M-H]- 345.12446 190.4
[M+NH4]+ 364.16556 192.7
[M+K]+ 385.09490 181.2
[M+H-H2O]+ 329.12900 170.8
[M+HCOO]- 391.12994 206.3
[M+CH3COO]- 405.14559 215.5
[M+Na-2H]- 367.10641 186.2
[M]+ 346.13119 181.3
[M]- 346.13229 181.3
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.