CID 91189

Einecs 246-270-5

Structural Information

Molecular Formula
C24H22N2O3
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)N
InChI
InChI=1S/C24H22N2O3/c1-3-26(4-2)16-10-11-19-22(14-16)28-21-12-9-15(25)13-20(21)24(19)18-8-6-5-7-17(18)23(27)29-24/h5-14H,3-4,25H2,1-2H3
InChIKey
MBOWATUGNDUMSN-UHFFFAOYSA-N
Compound name
2'-amino-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

386.16306 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.17034 192.8
[M+Na]+ 409.15228 201.8
[M-H]- 385.15578 203.5
[M+NH4]+ 404.19688 208.7
[M+K]+ 425.12622 198.6
[M+H-H2O]+ 369.16032 183.9
[M+HCOO]- 431.16126 211.0
[M+CH3COO]- 445.17691 203.6
[M+Na-2H]- 407.13773 197.8
[M]+ 386.16251 195.9
[M]- 386.16361 195.9
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