CID 9690020

Chembl512639

Structural Information

Molecular Formula
C24H18N2O6
SMILES
CC(=O)OC1=CC2=C(C(=C1)OC(=O)C)C(=O)C3=CC=CC(=C3O2)/C=N\NC4=CC=CC=C4
InChI
InChI=1S/C24H18N2O6/c1-14(27)30-18-11-20(31-15(2)28)22-21(12-18)32-24-16(7-6-10-19(24)23(22)29)13-25-26-17-8-4-3-5-9-17/h3-13,26H,1-2H3/b25-13-
InChIKey
HPLSQHMJKGVEBQ-MXAYSNPKSA-N
Compound name
[1-acetyloxy-9-oxo-5-[(Z)-(phenylhydrazinylidene)methyl]xanthen-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

430.1165 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.12378 200.7
[M+Na]+ 453.10572 209.1
[M-H]- 429.10922 211.6
[M+NH4]+ 448.15032 210.6
[M+K]+ 469.07966 207.1
[M+H-H2O]+ 413.11376 189.6
[M+HCOO]- 475.11470 224.2
[M+CH3COO]- 489.13035 235.9
[M+Na-2H]- 451.09117 206.8
[M]+ 430.11595 208.8
[M]- 430.11705 208.8
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.