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

1739
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 197.7
[M+Na]+ 428.10238 208.4
[M-H]- 404.10588 208.7
[M+NH4]+ 423.14698 214.3
[M+K]+ 444.07632 203.9
[M+H-H2O]+ 388.11042 189.4
[M+HCOO]- 450.11136 211.0
[M+CH3COO]- 464.12701 208.8
[M+Na-2H]- 426.08783 202.1
[M]+ 405.11261 204.6
[M]- 405.11371 204.6
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

patents stripe