CID 117123

4-amino-8-(diethylamino)-benzo(a)fluoran

Structural Information

Molecular Formula
C28H24N2O3
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4OC5=C3C6=C(C=C5)C(=CC=C6)N)OC2=O
InChI
InChI=1S/C28H24N2O3/c1-3-30(4-2)17-12-14-21-20(16-17)27(31)33-28(21)22-9-5-6-11-24(22)32-25-15-13-18-19(26(25)28)8-7-10-23(18)29/h5-16H,3-4,29H2,1-2H3
InChIKey
LUZSZXMTNKBOEN-UHFFFAOYSA-N
Compound name
4'-amino-6-(diethylamino)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.17868 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.18596 205.7
[M+Na]+ 459.16790 214.6
[M-H]- 435.17140 216.9
[M+NH4]+ 454.21250 220.1
[M+K]+ 475.14184 210.5
[M+H-H2O]+ 419.17594 195.2
[M+HCOO]- 481.17688 221.6
[M+CH3COO]- 495.19253 215.2
[M+Na-2H]- 457.15335 210.0
[M]+ 436.17813 208.8
[M]- 436.17923 208.8
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

No patent data available for this compound.