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]+ 347.13902 181.4
[M+Na]+ 369.12096 186.9
[M-H]- 345.12446 189.8
[M+NH4]+ 364.16556 192.7
[M+K]+ 385.09490 181.3
[M+H-H2O]+ 329.12900 171.6
[M+HCOO]- 391.12994 205.1
[M+CH3COO]- 405.14559 214.5
[M+Na-2H]- 367.10641 185.4
[M]+ 346.13119 180.2
[M]- 346.13229 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.