CID 54208764

154306-60-2

Structural Information

Molecular Formula
C27H25NO5
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)C(=O)OCC
InChI
InChI=1S/C27H25NO5/c1-4-28(5-2)18-12-13-21-24(16-18)32-23-14-11-17(25(29)31-6-3)15-22(23)27(21)20-10-8-7-9-19(20)26(30)33-27/h7-16H,4-6H2,1-3H3
InChIKey
PUKVTQJSWWVOJZ-UHFFFAOYSA-N
Compound name
ethyl 6'-(diethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

443.17328 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.18056 208.0
[M+Na]+ 466.16250 215.7
[M-H]- 442.16600 218.7
[M+NH4]+ 461.20710 221.6
[M+K]+ 482.13644 213.9
[M+H-H2O]+ 426.17054 198.7
[M+HCOO]- 488.17148 224.0
[M+CH3COO]- 502.18713 217.7
[M+Na-2H]- 464.14795 210.9
[M]+ 443.17273 214.8
[M]- 443.17383 214.8
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

patents stripe