CID 44151101

70516-54-0

Structural Information

Molecular Formula
C35H36N2O3
SMILES
CCCCCCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)N(C)C6=CC=CC=C6
InChI
InChI=1S/C35H36N2O3/c1-4-6-7-13-22-37(5-2)27-18-20-30-33(24-27)39-32-21-19-26(36(3)25-14-9-8-10-15-25)23-31(32)35(30)29-17-12-11-16-28(29)34(38)40-35/h8-12,14-21,23-24H,4-7,13,22H2,1-3H3
InChIKey
SPKPDXRAYFSQOX-UHFFFAOYSA-N
Compound name
6'-[ethyl(hexyl)amino]-2'-(N-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.2726 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.27988 236.8
[M+Na]+ 555.26182 252.1
[M+NH4]+ 550.30642 246.8
[M+K]+ 571.23576 241.0
[M-H]- 531.26532 248.6
[M+Na-2H]- 553.24727 243.6
[M]+ 532.27205 242.8
[M]- 532.27315 242.8
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.