CID 62357

Solvent red 49

Structural Information

Molecular Formula
C28H30N2O3
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CC)CC)C5=CC=CC=C5C(=O)O3
InChI
InChI=1S/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)32-26-18-20(30(7-3)8-4)14-16-24(26)28(23)22-12-10-9-11-21(22)27(31)33-28/h9-18H,5-8H2,1-4H3
InChIKey
DZNJMLVCIZGWSC-UHFFFAOYSA-N
Compound name
3',6'-bis(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7199
Patents

442.22565 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.23293 211.7
[M+Na]+ 465.21487 218.6
[M-H]- 441.21837 223.1
[M+NH4]+ 460.25947 225.8
[M+K]+ 481.18881 216.3
[M+H-H2O]+ 425.22291 201.6
[M+HCOO]- 487.22385 229.3
[M+CH3COO]- 501.23950 221.2
[M+Na-2H]- 463.20032 214.5
[M]+ 442.22510 217.7
[M]- 442.22620 217.7
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