CID 89556

21934-68-9

Structural Information

Molecular Formula
C26H25NO3
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(C=C(C=C5O2)C)C
InChI
InChI=1S/C26H25NO3/c1-5-27(6-2)18-11-12-21-22(15-18)29-23-14-16(3)13-17(4)24(23)26(21)20-10-8-7-9-19(20)25(28)30-26/h7-15H,5-6H2,1-4H3
InChIKey
XUFBVJQHCCCPNM-UHFFFAOYSA-N
Compound name
6'-(diethylamino)-1',3'-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

490
Patents

399.18344 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.19072 197.7
[M+Na]+ 422.17266 213.8
[M+NH4]+ 417.21726 208.8
[M+K]+ 438.14660 204.6
[M-H]- 398.17616 206.8
[M+Na-2H]- 420.15811 203.3
[M]+ 399.18289 203.2
[M]- 399.18399 203.2
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