CID 14533802

72089-06-6

Structural Information

Molecular Formula
C25H23NO3
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)C)C5=CC=CC=C5C(=O)O3
InChI
InChI=1S/C25H23NO3/c1-4-26(5-2)17-11-13-21-23(15-17)28-22-14-16(3)10-12-20(22)25(21)19-9-7-6-8-18(19)24(27)29-25/h6-15H,4-5H2,1-3H3
InChIKey
WRAVJWWNQKATAG-UHFFFAOYSA-N
Compound name
3'-(diethylamino)-6'-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 193.3
[M+Na]+ 408.15702 209.2
[M+NH4]+ 403.20162 204.5
[M+K]+ 424.13096 200.0
[M-H]- 384.16052 202.4
[M+Na-2H]- 406.14247 199.3
[M]+ 385.16725 198.6
[M]- 385.16835 198.6
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