CID 44146702

70516-52-8

Structural Information

Molecular Formula
C34H34N2O3
SMILES
CCCCCCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)NC6=CC=CC=C6
InChI
InChI=1S/C34H34N2O3/c1-3-5-6-12-21-36(4-2)26-18-19-29-32(23-26)38-31-20-17-25(35-24-13-8-7-9-14-24)22-30(31)34(29)28-16-11-10-15-27(28)33(37)39-34/h7-11,13-20,22-23,35H,3-6,12,21H2,1-2H3
InChIKey
VIHKGKGKWXKUCK-UHFFFAOYSA-N
Compound name
2'-anilino-6'-[ethyl(hexyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.25696 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.26424 233.4
[M+Na]+ 541.24618 248.8
[M+NH4]+ 536.29078 243.4
[M+K]+ 557.22012 237.4
[M-H]- 517.24968 244.9
[M+Na-2H]- 539.23163 240.2
[M]+ 518.25641 239.4
[M]- 518.25751 239.4
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

No patent data available for this compound.