CID 172805

Einecs 275-500-7

Structural Information

Molecular Formula
C29H25NO4
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C6=CC=CC=C6C(=C5)OC
InChI
InChI=1S/C29H25NO4/c1-4-30(5-2)18-14-15-23-26(16-18)33-27-20-11-7-6-10-19(20)25(32-3)17-24(27)29(23)22-13-9-8-12-21(22)28(31)34-29/h6-17H,4-5H2,1-3H3
InChIKey
NSBWOAPPZAYBJV-UHFFFAOYSA-N
Compound name
10'-(diethylamino)-5'-methoxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

451.17834 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.18562 210.2
[M+Na]+ 474.16756 219.1
[M-H]- 450.17106 221.7
[M+NH4]+ 469.21216 224.4
[M+K]+ 490.14150 215.8
[M+H-H2O]+ 434.17560 199.3
[M+HCOO]- 496.17654 225.4
[M+CH3COO]- 510.19219 219.8
[M+Na-2H]- 472.15301 214.1
[M]+ 451.17779 216.1
[M]- 451.17889 216.1
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

patents stripe