CID 9690040

Chembl497779

Structural Information

Molecular Formula
C20H14N2O4
SMILES
C1=CC=C(C=C1)N/N=C\C2=C3C(=CC=C2)C(=O)C4=C(C=C(C=C4O3)O)O
InChI
InChI=1S/C20H14N2O4/c23-14-9-16(24)18-17(10-14)26-20-12(5-4-8-15(20)19(18)25)11-21-22-13-6-2-1-3-7-13/h1-11,22-24H/b21-11-
InChIKey
PTFQGAZNCHSPNG-NHDPSOOVSA-N
Compound name
1,3-dihydroxy-5-[(Z)-(phenylhydrazinylidene)methyl]xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

346.09537 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10265 177.3
[M+Na]+ 369.08459 187.5
[M-H]- 345.08809 186.3
[M+NH4]+ 364.12919 190.0
[M+K]+ 385.05853 182.9
[M+H-H2O]+ 329.09263 167.9
[M+HCOO]- 391.09357 200.8
[M+CH3COO]- 405.10922 189.0
[M+Na-2H]- 367.07004 186.9
[M]+ 346.09482 180.9
[M]- 346.09592 180.9
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.