CID 9909671

85391-59-9

Structural Information

Molecular Formula
C26H27N3O2
SMILES
CN(C)C1=CC2=C(C=C1)C3(C4=C2C=C(C=C4)N(C)C)C5=C(C=C(C=C5)N(C)C)C(=O)O3
InChI
InChI=1S/C26H27N3O2/c1-27(2)16-7-10-22-19(13-16)20-14-17(28(3)4)8-11-23(20)26(22)24-12-9-18(29(5)6)15-21(24)25(30)31-26/h7-15H,1-6H3
InChIKey
RMZZBGUNXMGXCD-UHFFFAOYSA-N
Compound name
3',6,6'-tris(dimethylamino)spiro[2-benzofuran-3,9'-fluorene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1179
Patents

413.21033 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.21761 202.3
[M+Na]+ 436.19955 210.9
[M-H]- 412.20305 216.0
[M+NH4]+ 431.24415 221.7
[M+K]+ 452.17349 208.7
[M+H-H2O]+ 396.20759 194.5
[M+HCOO]- 458.20853 225.3
[M+CH3COO]- 472.22418 213.9
[M+Na-2H]- 434.18500 203.5
[M]+ 413.20978 209.3
[M]- 413.21088 209.3
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