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
2
Annotation Hits

0
References

192
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 216.3
[M+Na]+ 486.20397 223.2
[M-H]- 462.20747 227.0
[M+NH4]+ 481.24857 229.6
[M+K]+ 502.17791 219.2
[M+H-H2O]+ 446.21201 205.2
[M+HCOO]- 508.21295 229.6
[M+CH3COO]- 522.22860 224.6
[M+Na-2H]- 484.18942 218.3
[M]+ 463.21420 220.2
[M]- 463.21530 220.2
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