CID 91190

24460-07-9

Structural Information

Molecular Formula
C25H24N2O3
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)NC
InChI
InChI=1S/C25H24N2O3/c1-4-27(5-2)17-11-12-20-23(15-17)29-22-13-10-16(26-3)14-21(22)25(20)19-9-7-6-8-18(19)24(28)30-25/h6-15,26H,4-5H2,1-3H3
InChIKey
YDRFEYUCIQSKNK-UHFFFAOYSA-N
Compound name
6'-(diethylamino)-2'-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.17868 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.18596 196.6
[M+Na]+ 423.16790 205.0
[M-H]- 399.17140 207.5
[M+NH4]+ 418.21250 212.1
[M+K]+ 439.14184 202.0
[M+H-H2O]+ 383.17594 187.4
[M+HCOO]- 445.17688 215.0
[M+CH3COO]- 459.19253 207.1
[M+Na-2H]- 421.15335 202.0
[M]+ 400.17813 200.8
[M]- 400.17923 200.8
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

No patent data available for this compound.