CID 44150638

72389-80-1

Structural Information

Molecular Formula
C33H32N2O3
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)NC6=CC=CC(=C6C)C)C
InChI
InChI=1S/C33H32N2O3/c1-6-35(7-2)23-15-16-26-31(18-23)37-30-17-21(4)29(34-28-14-10-11-20(3)22(28)5)19-27(30)33(26)25-13-9-8-12-24(25)32(36)38-33/h8-19,34H,6-7H2,1-5H3
InChIKey
ONMXOWSAZNYHGE-UHFFFAOYSA-N
Compound name
6'-(diethylamino)-2'-(2,3-dimethylanilino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

504.2413 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.24858 229.2
[M+Na]+ 527.23052 245.9
[M+NH4]+ 522.27512 239.5
[M+K]+ 543.20446 235.3
[M-H]- 503.23402 241.1
[M+Na-2H]- 525.21597 235.7
[M]+ 504.24075 235.6
[M]- 504.24185 235.6
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