CID 108249

Dtxsid80885433

Structural Information

Molecular Formula
C32H38N2O3
SMILES
CCCCCCCCNC1=CC2=C(C=C1)OC3=C(C24C5=CC=CC=C5C(=O)O4)C=CC(=C3)N(CC)CC
InChI
InChI=1S/C32H38N2O3/c1-4-7-8-9-10-13-20-33-23-16-19-29-28(21-23)32(26-15-12-11-14-25(26)31(35)37-32)27-18-17-24(22-30(27)36-29)34(5-2)6-3/h11-12,14-19,21-22,33H,4-10,13,20H2,1-3H3
InChIKey
NMDQDUHQWBIVNL-UHFFFAOYSA-N
Compound name
6'-(diethylamino)-2'-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

11
Patents

498.28824 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.29552 228.6
[M+Na]+ 521.27746 233.6
[M-H]- 497.28096 237.8
[M+NH4]+ 516.32206 239.8
[M+K]+ 537.25140 229.2
[M+H-H2O]+ 481.28550 217.8
[M+HCOO]- 543.28644 244.3
[M+CH3COO]- 557.30209 235.7
[M+Na-2H]- 519.26291 230.1
[M]+ 498.28769 234.6
[M]- 498.28879 234.6
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