CID 9690022

[1-acetoxy-5-[(z)-[(3-chlorophenyl)hydrazono]methyl]-9-oxo-xanthen-3-yl] acetate

Structural Information

Molecular Formula
C24H17ClN2O6
SMILES
CC(=O)OC1=CC2=C(C(=C1)OC(=O)C)C(=O)C3=CC=CC(=C3O2)/C=N\NC4=CC(=CC=C4)Cl
InChI
InChI=1S/C24H17ClN2O6/c1-13(28)31-18-10-20(32-14(2)29)22-21(11-18)33-24-15(5-3-8-19(24)23(22)30)12-26-27-17-7-4-6-16(25)9-17/h3-12,27H,1-2H3/b26-12-
InChIKey
OBPWVQQFXMWSBD-ZRGSRPPYSA-N
Compound name
[1-acetyloxy-5-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-9-oxoxanthen-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

464.0775 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.08478 207.9
[M+Na]+ 487.06672 218.0
[M-H]- 463.07022 219.1
[M+NH4]+ 482.11132 217.8
[M+K]+ 503.04066 214.9
[M+H-H2O]+ 447.07476 198.0
[M+HCOO]- 509.07570 227.0
[M+CH3COO]- 523.09135 240.6
[M+Na-2H]- 485.05217 212.9
[M]+ 464.07695 219.3
[M]- 464.07805 219.3
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.