CID 13668844

87454-84-0

Structural Information

Molecular Formula
C30H25FN2O3
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)NC6=CC=CC=C6F
InChI
InChI=1S/C30H25FN2O3/c1-3-33(4-2)20-14-15-23-28(18-20)35-27-16-13-19(32-26-12-8-7-11-25(26)31)17-24(27)30(23)22-10-6-5-9-21(22)29(34)36-30/h5-18,32H,3-4H2,1-2H3
InChIKey
LKBGCONWUDEFKE-UHFFFAOYSA-N
Compound name
6'-(diethylamino)-2'-(2-fluoroanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

480.1849 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.19218 218.0
[M+Na]+ 503.17412 226.2
[M-H]- 479.17762 230.3
[M+NH4]+ 498.21872 229.5
[M+K]+ 519.14806 221.8
[M+H-H2O]+ 463.18216 205.6
[M+HCOO]- 525.18310 234.5
[M+CH3COO]- 539.19875 226.6
[M+Na-2H]- 501.15957 220.9
[M]+ 480.18435 220.4
[M]- 480.18545 220.4
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