CID 62357

Rhodamine b base

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

6112
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 210.8
[M+Na]+ 465.21487 224.8
[M+NH4]+ 460.25947 221.1
[M+K]+ 481.18881 215.8
[M-H]- 441.21837 220.2
[M+Na-2H]- 463.20032 215.9
[M]+ 442.22510 215.9
[M]- 442.22620 215.9
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