CID 89556

Einecs 244-667-8

Structural Information

Molecular Formula
C26H25NO3
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(C=C(C=C5O2)C)C
InChI
InChI=1S/C26H25NO3/c1-5-27(6-2)18-11-12-21-22(15-18)29-23-14-16(3)13-17(4)24(23)26(21)20-10-8-7-9-19(20)25(28)30-26/h7-15H,5-6H2,1-4H3
InChIKey
XUFBVJQHCCCPNM-UHFFFAOYSA-N
Compound name
6'-(diethylamino)-1',3'-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

551
Patents

399.18344 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.19072 199.1
[M+Na]+ 422.17266 208.9
[M-H]- 398.17616 210.4
[M+NH4]+ 417.21726 215.3
[M+K]+ 438.14660 205.5
[M+H-H2O]+ 382.18070 190.1
[M+HCOO]- 444.18164 216.1
[M+CH3COO]- 458.19729 210.0
[M+Na-2H]- 420.15811 202.4
[M]+ 399.18289 204.5
[M]- 399.18399 204.5
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