CID 91382

Dtxsid40885292

Structural Information

Molecular Formula
C25H23NO3
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)C
InChI
InChI=1S/C25H23NO3/c1-4-26(5-2)17-11-12-20-23(15-17)28-22-13-10-16(3)14-21(22)25(20)19-9-7-6-8-18(19)24(27)29-25/h6-15H,4-5H2,1-3H3
InChIKey
UHBOSXNNFXBPBO-UHFFFAOYSA-N
Compound name
6'-(diethylamino)-2'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

385.1678 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.17508 194.0
[M+Na]+ 408.15702 203.3
[M-H]- 384.16052 205.1
[M+NH4]+ 403.20162 210.5
[M+K]+ 424.13096 200.1
[M+H-H2O]+ 368.16506 184.9
[M+HCOO]- 430.16600 211.4
[M+CH3COO]- 444.18165 205.1
[M+Na-2H]- 406.14247 198.5
[M]+ 385.16725 198.7
[M]- 385.16835 198.7
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