CID 135452587

Nsc657558

Structural Information

Molecular Formula
C21H18N2O3
SMILES
C1=CC=C(C(=C1)/C=N/C(/N=C/C2=CC=CC=C2O)C3=CC=CC=C3O)O
InChI
InChI=1S/C21H18N2O3/c24-18-10-4-1-7-15(18)13-22-21(17-9-3-6-12-20(17)26)23-14-16-8-2-5-11-19(16)25/h1-14,21,24-26H/b22-13+,23-14+
InChIKey
INHDIZFGNSQNTN-MSKUYSOUSA-N
Compound name
2-[(E)-[(2-hydroxyphenyl)-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.13174 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.139016 181.4
[M+Na]+ 369.120958 186.9
[M-H]- 345.124464 189.8
[M+NH4]+ 364.165563 192.7
[M+K]+ 385.094898 181.3
[M+H-H2O]+ 329.129000 171.6
[M+HCOO]- 391.129941 205.1
[M+CH3COO]- 405.145591 214.5
[M+Na-2H]- 367.106406 185.4
[M]+ 346.13119142 180.2
[M]- 346.13228858 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.