CID 218730

(2-(((3-hydroxy-4-methoxyphenyl)methylene)amino)phenyl)methanone

Structural Information

Molecular Formula
C21H17NO3
SMILES
COC1=C(C=C(C=C1)C=NC2=CC=CC=C2C(=O)C3=CC=CC=C3)O
InChI
InChI=1S/C21H17NO3/c1-25-20-12-11-15(13-19(20)23)14-22-18-10-6-5-9-17(18)21(24)16-7-3-2-4-8-16/h2-14,23H,1H3
InChIKey
QNPUSAOBAPAYLT-UHFFFAOYSA-N
Compound name
[2-[(3-hydroxy-4-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.12085 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.12813 178.1
[M+Na]+ 354.11007 184.8
[M-H]- 330.11357 187.9
[M+NH4]+ 349.15467 190.9
[M+K]+ 370.08401 180.0
[M+H-H2O]+ 314.11811 168.3
[M+HCOO]- 376.11905 202.3
[M+CH3COO]- 390.13470 212.2
[M+Na-2H]- 352.09552 181.9
[M]+ 331.12030 179.4
[M]- 331.12140 179.4
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.