CID 16211134

261351-45-5

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=CC(=C(C=C5C(=O)O3)N)N
InChI
InChI=1S/C28H32N4O3/c1-5-31(6-2)17-9-11-20-25(13-17)34-26-14-18(32(7-3)8-4)10-12-21(26)28(20)22-16-24(30)23(29)15-19(22)27(33)35-28/h9-16H,5-8,29-30H2,1-4H3
InChIKey
LJSMMWFTVBPRDS-UHFFFAOYSA-N
Compound name
5,6-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

26
Patents

472.24744 Da
Monoisotopic Mass

4.5
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

patents stripe