CID 3085870

72884-85-6

Structural Information

Molecular Formula
C28H29NO3
SMILES
CCN(CC)C1=CC2=C(C=C1)[C@]3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)C(C)(C)C
InChI
InChI=1S/C28H29NO3/c1-6-29(7-2)19-13-14-22-25(17-19)31-24-15-12-18(27(3,4)5)16-23(24)28(22)21-11-9-8-10-20(21)26(30)32-28/h8-17H,6-7H2,1-5H3/t28-/m1/s1
InChIKey
IZWGKTMUBBOVFP-MUUNZHRXSA-N
Compound name
(3R)-2'-tert-butyl-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.21475 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.22203 205.7
[M+Na]+ 450.20397 220.5
[M+NH4]+ 445.24857 216.1
[M+K]+ 466.17791 212.0
[M-H]- 426.20747 214.0
[M+Na-2H]- 448.18942 211.1
[M]+ 427.21420 210.8
[M]- 427.21530 210.8
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

No patent data available for this compound.