CID 16211138

Dar-1

Structural Information

Molecular Formula
C28H32N4O3
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CC)CC)C5=C(C(=C(C=C5)N)N)C(=O)O3
InChI
InChI=1S/C28H32N4O3/c1-5-31(6-2)17-9-11-19-23(15-17)34-24-16-18(32(7-3)8-4)10-12-20(24)28(19)21-13-14-22(29)26(30)25(21)27(33)35-28/h9-16H,5-8,29-30H2,1-4H3
InChIKey
LFXDWSUQAVSSJH-UHFFFAOYSA-N
Compound name
6,7-diamino-3',6'-bis(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.24744 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.25472 220.5
[M+Na]+ 495.23666 231.9
[M+NH4]+ 490.28126 229.2
[M+K]+ 511.21060 224.4
[M-H]- 471.24016 230.0
[M+Na-2H]- 493.22211 223.5
[M]+ 472.24689 224.9
[M]- 472.24799 224.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.