CID 117321

26628-47-7

Structural Information

Molecular Formula
C28H23NO3
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC6=CC=CC=C65
InChI
InChI=1S/C28H23NO3/c1-3-29(4-2)19-14-15-23-25(17-19)31-24-16-13-18-9-5-6-10-20(18)26(24)28(23)22-12-8-7-11-21(22)27(30)32-28/h5-17H,3-4H2,1-2H3
InChIKey
HMNGPLGXLQFPFN-UHFFFAOYSA-N
Compound name
9'-(diethylamino)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

717
Patents

421.1678 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.17508 203.4
[M+Na]+ 444.15702 220.5
[M+NH4]+ 439.20162 215.2
[M+K]+ 460.13096 210.1
[M-H]- 420.16052 213.5
[M+Na-2H]- 442.14247 209.6
[M]+ 421.16725 209.4
[M]- 421.16835 209.4
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