CID 9690068

[1-acetoxy-7-[(e)-[(4-fluorophenyl)hydrazono]methyl]-9-oxo-xanthen-3-yl] acetate

Structural Information

Molecular Formula
C24H17FN2O6
SMILES
CC(=O)OC1=CC2=C(C(=C1)OC(=O)C)C(=O)C3=C(O2)C=CC(=C3)/C=N/NC4=CC=C(C=C4)F
InChI
InChI=1S/C24H17FN2O6/c1-13(28)31-18-10-21(32-14(2)29)23-22(11-18)33-20-8-3-15(9-19(20)24(23)30)12-26-27-17-6-4-16(25)5-7-17/h3-12,27H,1-2H3/b26-12+
InChIKey
FKSPBQVEHLYXHZ-RPPGKUMJSA-N
Compound name
[1-acetyloxy-7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9-oxoxanthen-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

448.10706 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.11434 205.0
[M+Na]+ 471.09628 214.3
[M-H]- 447.09978 214.9
[M+NH4]+ 466.14088 214.3
[M+K]+ 487.07022 212.0
[M+H-H2O]+ 431.10432 193.0
[M+HCOO]- 493.10526 227.3
[M+CH3COO]- 507.12091 239.9
[M+Na-2H]- 469.08173 209.7
[M]+ 448.10651 212.6
[M]- 448.10761 212.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.