CID 107041

Einecs 268-132-3

Structural Information

Molecular Formula
C25H24N2O4
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=CC(=C(C=C5O2)OC)N
InChI
InChI=1S/C25H24N2O4/c1-4-27(5-2)15-10-11-18-21(12-15)30-22-14-23(29-3)20(26)13-19(22)25(18)17-9-7-6-8-16(17)24(28)31-25/h6-14H,4-5,26H2,1-3H3
InChIKey
XWYNCXPHQBNNRH-UHFFFAOYSA-N
Compound name
2'-amino-6'-(diethylamino)-3'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

416.1736 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.18088 201.0
[M+Na]+ 439.16282 210.0
[M-H]- 415.16632 211.7
[M+NH4]+ 434.20742 215.7
[M+K]+ 455.13676 207.6
[M+H-H2O]+ 399.17086 191.9
[M+HCOO]- 461.17180 218.8
[M+CH3COO]- 475.18745 211.4
[M+Na-2H]- 437.14827 205.0
[M]+ 416.17305 206.2
[M]- 416.17415 206.2
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