CID 117320

26567-23-7

Structural Information

Molecular Formula
C24H20ClNO3
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)Cl
InChI
InChI=1S/C24H20ClNO3/c1-3-26(4-2)16-10-11-19-22(14-16)28-21-12-9-15(25)13-20(21)24(19)18-8-6-5-7-17(18)23(27)29-24/h5-14H,3-4H2,1-2H3
InChIKey
GSCLSACFHWKTQU-UHFFFAOYSA-N
Compound name
2'-chloro-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1720
Patents

405.11316 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.12044 195.2
[M+Na]+ 428.10238 212.2
[M+NH4]+ 423.14698 206.8
[M+K]+ 444.07632 202.2
[M-H]- 404.10588 204.3
[M+Na-2H]- 426.08783 201.5
[M]+ 405.11261 201.1
[M]- 405.11371 201.1
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

patents stripe