CID 10298445

115392-27-3

Structural Information

Molecular Formula
C31H29NO3
SMILES
CCN(CCC(C)C)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC6=CC=CC=C65
InChI
InChI=1S/C31H29NO3/c1-4-32(18-17-20(2)3)22-14-15-26-28(19-22)34-27-16-13-21-9-5-6-10-23(21)29(27)31(26)25-12-8-7-11-24(25)30(33)35-31/h5-16,19-20H,4,17-18H2,1-3H3
InChIKey
GNBILJBACCNEAZ-UHFFFAOYSA-N
Compound name
9'-[ethyl(3-methylbutyl)amino]spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
Patents

463.21475 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.22203 216.5
[M+Na]+ 486.20397 232.4
[M+NH4]+ 481.24857 227.6
[M+K]+ 502.17791 222.1
[M-H]- 462.20747 226.2
[M+Na-2H]- 484.18942 221.5
[M]+ 463.21420 222.1
[M]- 463.21530 222.1
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